USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 126 GLN : amide:sc= -1.99! C(o=-2.6!,f=-6.7!) USER MOD Set 1.2: B 155 GLN : amide:sc= -0.592 K(o=-2.6,f=-1.8) USER MOD Set 2.1: B 121 ASN : amide:sc= -4.39! K(o=-11!,f=-3.1) USER MOD Set 2.2: B 152 ASN : amide:sc= -6.17! K(o=-11!,f=-3.1) USER MOD Set 3.1: A 26 GLN : amide:sc= -2.42 K(o=-3.2,f=-6.7) USER MOD Set 3.2: A 55 GLN : amide:sc= -0.767 K(o=-3.2,f=-7) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.16 X(o=-0.24,f=-0.51) USER MOD Set 4.2: B 110 GLN : amide:sc= -0.0771 X(o=-0.24,f=-0.5) USER MOD Single : A 1 VAL N :NH3+ -175:sc= -0.666 (180deg=-0.757) USER MOD Single : A 3 ASN : amide:sc= 0.0267 K(o=0.027,f=-0.77) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -8.54! C(o=-8.5!,f=-5.4!) USER MOD Single : A 10 GLN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 11 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.4!) USER MOD Single : A 14 TYR OH : rot 0:sc= -1.17 USER MOD Single : A 21 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.1) USER MOD Single : A 23 ASN : amide:sc= -2.37 K(o=-2.4,f=-12!) USER MOD Single : A 28 ASN : amide:sc= -3.86 X(o=-3.9,f=-3.9!) USER MOD Single : A 32 GLN : amide:sc= -4.64! C(o=-4.6!,f=-3.5!) USER MOD Single : A 33 SER OG : rot 160:sc= -0.347 USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= -0.512 (180deg=-1.92!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.038) USER MOD Single : A 41 SER OG : rot -90:sc= 0.825 USER MOD Single : A 43 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0603 (180deg=-0.33) USER MOD Single : A 52 ASN : amide:sc= -1.87 K(o=-1.9,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0439 (180deg=-0.309) USER MOD Single : B 103 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 LYS NZ :NH3+ 162:sc= -0.0776 (180deg=-0.446) USER MOD Single : B 109 THR OG1 : rot 170:sc= -0.222 USER MOD Single : B 113 SER OG : rot 80:sc= 0.0555 USER MOD Single : B 118 THR OG1 : rot 180:sc= -0.076 USER MOD Single : B 123 ASN : amide:sc= -4.87! K(o=-4.9!,f=-0.63) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.103 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.22) USER MOD Single : B 141 SER OG : rot 180:sc= -1.11 USER MOD Single : B 143 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.057) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.353 -12.506 -2.428 1.00 6.84 N ATOM 2 CA VAL A 1 -12.289 -12.224 -1.309 1.00 6.39 C ATOM 3 C VAL A 1 -11.680 -12.615 0.031 1.00 5.45 C ATOM 4 O VAL A 1 -12.050 -12.075 1.074 1.00 5.57 O ATOM 5 CB VAL A 1 -13.622 -12.978 -1.491 1.00 7.06 C ATOM 6 CG1 VAL A 1 -14.319 -12.535 -2.768 1.00 7.37 C ATOM 7 CG2 VAL A 1 -13.390 -14.481 -1.497 1.00 7.36 C ATOM 0 H1 VAL A 1 -11.759 -12.152 -3.318 1.00 6.84 H new ATOM 0 H2 VAL A 1 -10.445 -12.031 -2.249 1.00 6.84 H new ATOM 0 H3 VAL A 1 -11.199 -13.532 -2.501 1.00 6.84 H new ATOM 0 HA VAL A 1 -12.479 -11.151 -1.319 1.00 6.39 H new ATOM 0 HB VAL A 1 -14.270 -12.736 -0.649 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -15.257 -13.079 -2.878 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -14.523 -11.465 -2.719 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -13.677 -12.743 -3.624 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -14.342 -14.996 -1.626 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -12.722 -14.743 -2.317 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -12.940 -14.783 -0.552 1.00 7.36 H new ATOM 19 N ASP A 2 -10.744 -13.556 -0.003 1.00 4.87 N ATOM 20 CA ASP A 2 -10.083 -14.024 1.209 1.00 4.23 C ATOM 21 C ASP A 2 -8.853 -13.177 1.525 1.00 3.33 C ATOM 22 O ASP A 2 -7.817 -13.299 0.871 1.00 3.72 O ATOM 23 CB ASP A 2 -9.683 -15.493 1.058 1.00 5.03 C ATOM 24 CG ASP A 2 -10.872 -16.387 0.766 1.00 5.73 C ATOM 25 OD1 ASP A 2 -11.591 -16.750 1.720 1.00 6.23 O ATOM 26 OD2 ASP A 2 -11.084 -16.723 -0.418 1.00 6.07 O ATOM 0 H ASP A 2 -10.425 -14.011 -0.859 1.00 4.87 H new ATOM 0 HA ASP A 2 -10.786 -13.928 2.037 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -8.954 -15.588 0.253 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -9.194 -15.830 1.972 1.00 5.03 H new ATOM 31 N ASN A 3 -8.978 -12.322 2.537 1.00 2.66 N ATOM 32 CA ASN A 3 -7.892 -11.451 2.950 1.00 2.31 C ATOM 33 C ASN A 3 -8.279 -10.693 4.207 1.00 1.47 C ATOM 34 O ASN A 3 -8.649 -9.520 4.162 1.00 2.12 O ATOM 35 CB ASN A 3 -7.526 -10.473 1.842 1.00 2.82 C ATOM 36 CG ASN A 3 -8.744 -9.859 1.179 1.00 3.16 C ATOM 37 OD1 ASN A 3 -9.283 -10.407 0.217 1.00 3.78 O ATOM 38 ND2 ASN A 3 -9.182 -8.715 1.689 1.00 3.18 N ATOM 0 H ASN A 3 -9.830 -12.217 3.087 1.00 2.66 H new ATOM 0 HA ASN A 3 -7.020 -12.071 3.160 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -6.903 -9.679 2.254 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -6.929 -10.989 1.090 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -9.996 -8.254 1.283 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -8.704 -8.296 2.487 1.00 3.18 H new ATOM 45 N LYS A 4 -8.185 -11.383 5.327 1.00 0.80 N ATOM 46 CA LYS A 4 -8.519 -10.804 6.621 1.00 1.31 C ATOM 47 C LYS A 4 -7.530 -9.708 6.977 1.00 1.28 C ATOM 48 O LYS A 4 -7.680 -9.015 7.983 1.00 2.13 O ATOM 49 CB LYS A 4 -8.497 -11.885 7.696 1.00 2.13 C ATOM 50 CG LYS A 4 -9.497 -13.004 7.454 1.00 2.28 C ATOM 51 CD LYS A 4 -9.370 -14.099 8.500 1.00 3.10 C ATOM 52 CE LYS A 4 -10.383 -15.209 8.270 1.00 3.72 C ATOM 53 NZ LYS A 4 -10.237 -16.309 9.263 1.00 4.09 N ATOM 0 H LYS A 4 -7.877 -12.355 5.370 1.00 0.80 H new ATOM 0 HA LYS A 4 -9.519 -10.374 6.564 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -7.495 -12.310 7.751 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -8.703 -11.428 8.664 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -10.509 -12.599 7.470 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -9.339 -13.427 6.462 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -8.362 -14.513 8.474 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -9.514 -13.673 9.493 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -11.391 -14.798 8.329 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -10.260 -15.610 7.264 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -10.946 -17.046 9.072 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -9.284 -16.718 9.190 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -10.379 -15.932 10.222 1.00 4.09 H new ATOM 67 N PHE A 5 -6.517 -9.573 6.133 1.00 0.53 N ATOM 68 CA PHE A 5 -5.468 -8.576 6.331 1.00 0.42 C ATOM 69 C PHE A 5 -4.735 -8.830 7.647 1.00 0.40 C ATOM 70 O PHE A 5 -4.667 -7.958 8.513 1.00 0.49 O ATOM 71 CB PHE A 5 -6.055 -7.157 6.315 1.00 0.34 C ATOM 72 CG PHE A 5 -6.697 -6.777 5.008 1.00 0.33 C ATOM 73 CD1 PHE A 5 -5.932 -6.624 3.863 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.068 -6.579 4.924 1.00 0.35 C ATOM 75 CE1 PHE A 5 -6.519 -6.280 2.661 1.00 0.40 C ATOM 76 CE2 PHE A 5 -8.660 -6.233 3.722 1.00 0.39 C ATOM 77 CZ PHE A 5 -7.885 -6.066 2.596 1.00 0.40 C ATOM 0 H PHE A 5 -6.397 -10.145 5.297 1.00 0.53 H new ATOM 0 HA PHE A 5 -4.756 -8.662 5.510 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -6.795 -7.072 7.110 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.262 -6.444 6.540 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -4.864 -6.776 3.911 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -8.680 -6.696 5.806 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -5.913 -6.178 1.773 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -9.730 -6.094 3.667 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.342 -5.769 1.664 1.00 0.40 H new ATOM 87 N ASN A 6 -4.185 -10.035 7.783 1.00 0.35 N ATOM 88 CA ASN A 6 -3.461 -10.425 8.990 1.00 0.37 C ATOM 89 C ASN A 6 -2.204 -9.580 9.189 1.00 0.37 C ATOM 90 O ASN A 6 -2.016 -8.558 8.529 1.00 0.36 O ATOM 91 CB ASN A 6 -3.085 -11.907 8.925 1.00 0.36 C ATOM 92 CG ASN A 6 -4.298 -12.817 8.925 1.00 0.97 C ATOM 93 OD1 ASN A 6 -5.333 -12.490 9.507 1.00 1.73 O ATOM 94 ND2 ASN A 6 -4.175 -13.968 8.273 1.00 1.69 N ATOM 0 H ASN A 6 -4.228 -10.761 7.068 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.121 -10.254 9.841 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.498 -12.090 8.025 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.450 -12.154 9.775 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -4.957 -14.622 8.241 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -3.298 -14.198 7.805 1.00 1.69 H new ATOM 101 N LYS A 7 -1.349 -10.022 10.108 1.00 0.40 N ATOM 102 CA LYS A 7 -0.106 -9.318 10.410 1.00 0.43 C ATOM 103 C LYS A 7 0.796 -9.238 9.191 1.00 0.40 C ATOM 104 O LYS A 7 0.990 -8.168 8.630 1.00 0.38 O ATOM 105 CB LYS A 7 0.641 -10.017 11.545 1.00 0.52 C ATOM 106 CG LYS A 7 1.949 -9.336 11.914 1.00 0.58 C ATOM 107 CD LYS A 7 1.698 -7.976 12.542 1.00 0.60 C ATOM 108 CE LYS A 7 2.982 -7.181 12.674 1.00 1.39 C ATOM 109 NZ LYS A 7 2.774 -5.907 13.416 1.00 1.90 N ATOM 0 H LYS A 7 -1.496 -10.868 10.658 1.00 0.40 H new ATOM 0 HA LYS A 7 -0.370 -8.305 10.715 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -0.002 -10.054 12.425 1.00 0.52 H new ATOM 0 HB3 LYS A 7 0.845 -11.048 11.255 1.00 0.52 H new ATOM 0 HG2 LYS A 7 2.506 -9.964 12.609 1.00 0.58 H new ATOM 0 HG3 LYS A 7 2.567 -9.221 11.023 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.985 -7.419 11.934 1.00 0.60 H new ATOM 0 HD3 LYS A 7 1.246 -8.106 13.525 1.00 0.60 H new ATOM 0 HE2 LYS A 7 3.730 -7.783 13.190 1.00 1.39 H new ATOM 0 HE3 LYS A 7 3.377 -6.963 11.682 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 3.676 -5.394 13.484 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 2.079 -5.321 12.911 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 2.421 -6.116 14.372 1.00 1.90 H new ATOM 123 N GLU A 8 1.352 -10.375 8.788 1.00 0.43 N ATOM 124 CA GLU A 8 2.249 -10.420 7.638 1.00 0.43 C ATOM 125 C GLU A 8 1.677 -9.653 6.450 1.00 0.37 C ATOM 126 O GLU A 8 2.419 -9.220 5.573 1.00 0.39 O ATOM 127 CB GLU A 8 2.534 -11.863 7.234 1.00 0.47 C ATOM 128 CG GLU A 8 2.973 -12.748 8.388 1.00 0.52 C ATOM 129 CD GLU A 8 3.203 -14.186 7.963 1.00 1.03 C ATOM 130 OE1 GLU A 8 2.211 -14.938 7.856 1.00 0.95 O ATOM 131 OE2 GLU A 8 4.372 -14.559 7.737 1.00 1.80 O ATOM 0 H GLU A 8 1.198 -11.277 9.239 1.00 0.43 H new ATOM 0 HA GLU A 8 3.182 -9.941 7.935 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.637 -12.288 6.783 1.00 0.47 H new ATOM 0 HB3 GLU A 8 3.309 -11.870 6.468 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.891 -12.349 8.819 1.00 0.52 H new ATOM 0 HG3 GLU A 8 2.215 -12.721 9.171 1.00 0.52 H new ATOM 138 N GLN A 9 0.359 -9.495 6.419 1.00 0.34 N ATOM 139 CA GLN A 9 -0.295 -8.764 5.342 1.00 0.33 C ATOM 140 C GLN A 9 -0.203 -7.261 5.596 1.00 0.30 C ATOM 141 O GLN A 9 0.036 -6.476 4.677 1.00 0.32 O ATOM 142 CB GLN A 9 -1.757 -9.196 5.225 1.00 0.36 C ATOM 143 CG GLN A 9 -2.327 -9.034 3.827 1.00 0.38 C ATOM 144 CD GLN A 9 -3.688 -9.685 3.676 1.00 0.73 C ATOM 145 OE1 GLN A 9 -3.991 -10.677 4.339 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.515 -9.130 2.800 1.00 0.50 N ATOM 0 H GLN A 9 -0.277 -9.863 7.127 1.00 0.34 H new ATOM 0 HA GLN A 9 0.211 -8.990 4.403 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -1.844 -10.240 5.525 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.357 -8.612 5.923 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -2.407 -7.973 3.592 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.637 -9.470 3.104 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -4.222 -8.308 2.272 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.444 -9.525 2.654 1.00 0.50 H new ATOM 155 N GLN A 10 -0.393 -6.873 6.854 1.00 0.27 N ATOM 156 CA GLN A 10 -0.317 -5.473 7.255 1.00 0.25 C ATOM 157 C GLN A 10 1.139 -5.034 7.355 1.00 0.23 C ATOM 158 O GLN A 10 1.557 -4.054 6.739 1.00 0.26 O ATOM 159 CB GLN A 10 -1.013 -5.280 8.605 1.00 0.26 C ATOM 160 CG GLN A 10 -1.191 -3.823 8.996 1.00 0.26 C ATOM 161 CD GLN A 10 -1.762 -3.655 10.390 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.024 -3.608 11.374 1.00 1.18 O ATOM 163 NE2 GLN A 10 -3.085 -3.555 10.482 1.00 0.89 N ATOM 0 H GLN A 10 -0.602 -7.515 7.618 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.818 -4.863 6.504 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -1.991 -5.760 8.572 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.435 -5.787 9.378 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.228 -3.316 8.939 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -1.850 -3.336 8.277 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.660 -3.599 9.640 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.525 -3.434 11.394 1.00 0.89 H new ATOM 172 N ASN A 11 1.895 -5.778 8.149 1.00 0.24 N ATOM 173 CA ASN A 11 3.311 -5.527 8.357 1.00 0.23 C ATOM 174 C ASN A 11 4.030 -5.366 7.029 1.00 0.21 C ATOM 175 O ASN A 11 4.890 -4.501 6.878 1.00 0.22 O ATOM 176 CB ASN A 11 3.889 -6.690 9.170 1.00 0.27 C ATOM 177 CG ASN A 11 5.139 -7.317 8.590 1.00 0.72 C ATOM 178 OD1 ASN A 11 6.046 -6.636 8.110 1.00 1.08 O ATOM 179 ND2 ASN A 11 5.185 -8.642 8.651 1.00 0.82 N ATOM 0 H ASN A 11 1.539 -6.579 8.671 1.00 0.24 H new ATOM 0 HA ASN A 11 3.451 -4.596 8.906 1.00 0.23 H new ATOM 0 HB2 ASN A 11 4.112 -6.335 10.176 1.00 0.27 H new ATOM 0 HB3 ASN A 11 3.125 -7.461 9.266 1.00 0.27 H new ATOM 0 HD21 ASN A 11 5.998 -9.141 8.290 1.00 0.82 H new ATOM 0 HD22 ASN A 11 4.407 -9.161 9.059 1.00 0.82 H new ATOM 186 N ALA A 12 3.672 -6.204 6.068 1.00 0.19 N ATOM 187 CA ALA A 12 4.279 -6.154 4.749 1.00 0.18 C ATOM 188 C ALA A 12 3.917 -4.860 4.036 1.00 0.15 C ATOM 189 O ALA A 12 4.758 -4.243 3.387 1.00 0.20 O ATOM 190 CB ALA A 12 3.848 -7.361 3.935 1.00 0.22 C ATOM 0 H ALA A 12 2.962 -6.928 6.179 1.00 0.19 H new ATOM 0 HA ALA A 12 5.363 -6.179 4.861 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.307 -7.317 2.947 1.00 0.22 H new ATOM 0 HB2 ALA A 12 4.164 -8.273 4.441 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.763 -7.361 3.831 1.00 0.22 H new ATOM 196 N PHE A 13 2.661 -4.452 4.168 1.00 0.13 N ATOM 197 CA PHE A 13 2.187 -3.224 3.544 1.00 0.11 C ATOM 198 C PHE A 13 3.050 -2.038 3.967 1.00 0.11 C ATOM 199 O PHE A 13 3.638 -1.357 3.127 1.00 0.15 O ATOM 200 CB PHE A 13 0.724 -2.971 3.926 1.00 0.14 C ATOM 201 CG PHE A 13 0.195 -1.646 3.458 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.363 -1.514 2.196 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.258 -0.530 4.279 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.850 -0.296 1.763 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.228 0.690 3.850 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.787 0.806 2.594 1.00 0.11 C ATOM 0 H PHE A 13 1.952 -4.954 4.702 1.00 0.13 H new ATOM 0 HA PHE A 13 2.259 -3.336 2.462 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.107 -3.766 3.508 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.626 -3.028 5.010 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.418 -2.373 1.544 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.692 -0.616 5.264 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.279 -0.205 0.776 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.170 1.552 4.497 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.175 1.757 2.261 1.00 0.11 H new ATOM 216 N TYR A 14 3.127 -1.806 5.273 1.00 0.11 N ATOM 217 CA TYR A 14 3.911 -0.698 5.808 1.00 0.13 C ATOM 218 C TYR A 14 5.396 -0.867 5.506 1.00 0.13 C ATOM 219 O TYR A 14 6.038 0.046 4.991 1.00 0.17 O ATOM 220 CB TYR A 14 3.705 -0.584 7.319 1.00 0.16 C ATOM 221 CG TYR A 14 2.319 -0.128 7.716 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.847 1.124 7.342 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.491 -0.944 8.478 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.587 1.551 7.720 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.229 -0.524 8.855 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.217 0.723 8.475 1.00 0.33 C ATOM 227 OH TYR A 14 -1.468 1.148 8.857 1.00 0.42 O ATOM 0 H TYR A 14 2.656 -2.370 5.981 1.00 0.11 H new ATOM 0 HA TYR A 14 3.565 0.215 5.323 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.903 -1.553 7.777 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.437 0.115 7.724 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.473 1.773 6.748 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.839 -1.921 8.780 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.234 2.528 7.425 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.404 -1.170 9.445 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.626 2.052 8.513 1.00 0.42 H new ATOM 237 N GLU A 15 5.935 -2.038 5.828 1.00 0.11 N ATOM 238 CA GLU A 15 7.347 -2.322 5.597 1.00 0.12 C ATOM 239 C GLU A 15 7.741 -2.048 4.147 1.00 0.12 C ATOM 240 O GLU A 15 8.901 -1.753 3.859 1.00 0.19 O ATOM 241 CB GLU A 15 7.667 -3.770 5.978 1.00 0.13 C ATOM 242 CG GLU A 15 8.072 -3.937 7.436 1.00 0.19 C ATOM 243 CD GLU A 15 9.305 -3.131 7.794 1.00 1.16 C ATOM 244 OE1 GLU A 15 10.427 -3.643 7.601 1.00 1.08 O ATOM 245 OE2 GLU A 15 9.148 -1.987 8.269 1.00 2.16 O ATOM 0 H GLU A 15 5.415 -2.807 6.250 1.00 0.11 H new ATOM 0 HA GLU A 15 7.932 -1.655 6.230 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.794 -4.392 5.778 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.472 -4.136 5.341 1.00 0.13 H new ATOM 0 HG2 GLU A 15 7.244 -3.632 8.076 1.00 0.19 H new ATOM 0 HG3 GLU A 15 8.260 -4.991 7.639 1.00 0.19 H new ATOM 252 N ILE A 16 6.777 -2.149 3.235 1.00 0.10 N ATOM 253 CA ILE A 16 7.037 -1.895 1.822 1.00 0.09 C ATOM 254 C ILE A 16 7.037 -0.392 1.534 1.00 0.12 C ATOM 255 O ILE A 16 7.826 0.092 0.722 1.00 0.16 O ATOM 256 CB ILE A 16 6.008 -2.612 0.919 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.289 -4.118 0.906 1.00 0.12 C ATOM 258 CG2 ILE A 16 6.039 -2.050 -0.495 1.00 0.12 C ATOM 259 CD1 ILE A 16 5.177 -4.943 0.296 1.00 0.14 C ATOM 0 H ILE A 16 5.813 -2.404 3.449 1.00 0.10 H new ATOM 0 HA ILE A 16 8.024 -2.297 1.593 1.00 0.09 H new ATOM 0 HB ILE A 16 5.011 -2.440 1.324 1.00 0.10 H new ATOM 0 HG12 ILE A 16 7.210 -4.301 0.352 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.459 -4.455 1.929 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.306 -2.572 -1.110 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.800 -0.987 -0.469 1.00 0.12 H new ATOM 0 HG23 ILE A 16 7.033 -2.189 -0.920 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.450 -5.998 0.323 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.258 -4.791 0.863 1.00 0.14 H new ATOM 0 HD13 ILE A 16 5.021 -4.635 -0.738 1.00 0.14 H new ATOM 271 N LEU A 17 6.152 0.340 2.206 1.00 0.14 N ATOM 272 CA LEU A 17 6.069 1.787 2.031 1.00 0.19 C ATOM 273 C LEU A 17 7.322 2.464 2.581 1.00 0.18 C ATOM 274 O LEU A 17 7.872 3.376 1.965 1.00 0.26 O ATOM 275 CB LEU A 17 4.833 2.349 2.737 1.00 0.27 C ATOM 276 CG LEU A 17 3.587 2.481 1.858 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.827 1.165 1.797 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.696 3.599 2.374 1.00 0.77 C ATOM 0 H LEU A 17 5.484 -0.044 2.875 1.00 0.14 H new ATOM 0 HA LEU A 17 5.990 1.992 0.963 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.594 1.707 3.585 1.00 0.27 H new ATOM 0 HB3 LEU A 17 5.079 3.331 3.141 1.00 0.27 H new ATOM 0 HG LEU A 17 3.902 2.731 0.845 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.945 1.283 1.167 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.471 0.392 1.379 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.519 0.876 2.802 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.813 3.683 1.740 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.389 3.377 3.396 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.246 4.540 2.356 1.00 0.77 H new ATOM 290 N HIS A 18 7.764 1.998 3.748 1.00 0.16 N ATOM 291 CA HIS A 18 8.944 2.547 4.411 1.00 0.16 C ATOM 292 C HIS A 18 10.174 2.510 3.510 1.00 0.13 C ATOM 293 O HIS A 18 11.092 3.313 3.673 1.00 0.15 O ATOM 294 CB HIS A 18 9.224 1.775 5.702 1.00 0.17 C ATOM 295 CG HIS A 18 8.321 2.158 6.834 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.790 2.510 8.082 1.00 0.58 N ATOM 297 CD2 HIS A 18 6.972 2.246 6.903 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.769 2.797 8.869 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.655 2.644 8.177 1.00 0.33 N ATOM 0 H HIS A 18 7.318 1.235 4.257 1.00 0.16 H new ATOM 0 HA HIS A 18 8.734 3.591 4.643 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.118 0.708 5.508 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.259 1.944 6.000 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.772 2.543 8.355 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.275 2.041 6.104 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.834 3.104 9.902 1.00 0.60 H new ATOM 308 N LEU A 19 10.191 1.575 2.564 1.00 0.14 N ATOM 309 CA LEU A 19 11.317 1.442 1.646 1.00 0.14 C ATOM 310 C LEU A 19 11.620 2.776 0.962 1.00 0.16 C ATOM 311 O LEU A 19 10.826 3.259 0.154 1.00 0.18 O ATOM 312 CB LEU A 19 11.024 0.363 0.601 1.00 0.12 C ATOM 313 CG LEU A 19 10.814 -1.043 1.169 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.482 -2.023 0.057 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.049 -1.501 1.934 1.00 0.12 C ATOM 0 H LEU A 19 9.441 0.901 2.414 1.00 0.14 H new ATOM 0 HA LEU A 19 12.195 1.146 2.220 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.133 0.651 0.043 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.850 0.332 -0.110 1.00 0.12 H new ATOM 0 HG LEU A 19 9.973 -1.011 1.862 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.336 -3.017 0.480 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.569 -1.706 -0.447 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.302 -2.051 -0.661 1.00 0.13 H new ATOM 0 HD21 LEU A 19 11.881 -2.502 2.330 1.00 0.12 H new ATOM 0 HD22 LEU A 19 12.908 -1.516 1.263 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.243 -0.813 2.757 1.00 0.12 H new ATOM 327 N PRO A 20 12.779 3.390 1.277 1.00 0.18 N ATOM 328 CA PRO A 20 13.173 4.678 0.702 1.00 0.21 C ATOM 329 C PRO A 20 13.770 4.551 -0.694 1.00 0.21 C ATOM 330 O PRO A 20 13.393 5.284 -1.609 1.00 0.23 O ATOM 331 CB PRO A 20 14.228 5.176 1.687 1.00 0.24 C ATOM 332 CG PRO A 20 14.874 3.934 2.197 1.00 0.22 C ATOM 333 CD PRO A 20 13.802 2.874 2.213 1.00 0.19 C ATOM 0 HA PRO A 20 12.320 5.345 0.575 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.952 5.828 1.198 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.777 5.750 2.496 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.705 3.637 1.557 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.281 4.090 3.196 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.190 1.908 1.889 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.394 2.734 3.214 1.00 0.19 H new ATOM 341 N ASN A 21 14.704 3.620 -0.854 1.00 0.20 N ATOM 342 CA ASN A 21 15.357 3.406 -2.138 1.00 0.21 C ATOM 343 C ASN A 21 14.359 2.928 -3.184 1.00 0.20 C ATOM 344 O ASN A 21 14.542 3.155 -4.380 1.00 0.23 O ATOM 345 CB ASN A 21 16.496 2.397 -1.989 1.00 0.21 C ATOM 346 CG ASN A 21 17.554 2.865 -1.008 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.800 4.063 -0.868 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.185 1.921 -0.320 1.00 0.26 N ATOM 0 H ASN A 21 15.025 3.002 -0.109 1.00 0.20 H new ATOM 0 HA ASN A 21 15.770 4.357 -2.474 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.091 1.442 -1.655 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.956 2.225 -2.962 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.905 2.177 0.356 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.950 0.939 -0.467 1.00 0.26 H new ATOM 355 N LEU A 22 13.299 2.266 -2.728 1.00 0.18 N ATOM 356 CA LEU A 22 12.270 1.764 -3.629 1.00 0.17 C ATOM 357 C LEU A 22 11.381 2.905 -4.100 1.00 0.20 C ATOM 358 O LEU A 22 10.924 3.721 -3.297 1.00 0.26 O ATOM 359 CB LEU A 22 11.421 0.697 -2.937 1.00 0.17 C ATOM 360 CG LEU A 22 10.700 -0.267 -3.880 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.656 -1.339 -4.380 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.503 -0.898 -3.186 1.00 0.26 C ATOM 0 H LEU A 22 13.132 2.066 -1.742 1.00 0.18 H new ATOM 0 HA LEU A 22 12.761 1.314 -4.492 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.062 0.119 -2.272 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.679 1.194 -2.312 1.00 0.17 H new ATOM 0 HG LEU A 22 10.339 0.298 -4.739 1.00 0.17 H new ATOM 0 HD11 LEU A 22 11.126 -2.016 -5.050 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.480 -0.870 -4.917 1.00 0.29 H new ATOM 0 HD13 LEU A 22 12.048 -1.901 -3.532 1.00 0.29 H new ATOM 0 HD21 LEU A 22 9.003 -1.581 -3.873 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.840 -1.449 -2.308 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.807 -0.117 -2.879 1.00 0.26 H new ATOM 374 N ASN A 23 11.135 2.961 -5.402 1.00 0.22 N ATOM 375 CA ASN A 23 10.300 4.013 -5.970 1.00 0.27 C ATOM 376 C ASN A 23 8.827 3.621 -5.936 1.00 0.24 C ATOM 377 O ASN A 23 8.481 2.503 -5.555 1.00 0.29 O ATOM 378 CB ASN A 23 10.735 4.332 -7.401 1.00 0.33 C ATOM 379 CG ASN A 23 11.065 3.086 -8.195 1.00 0.75 C ATOM 380 OD1 ASN A 23 10.509 2.017 -7.948 1.00 1.59 O ATOM 381 ND2 ASN A 23 11.973 3.218 -9.154 1.00 1.33 N ATOM 0 H ASN A 23 11.499 2.294 -6.083 1.00 0.22 H new ATOM 0 HA ASN A 23 10.427 4.908 -5.361 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.940 4.881 -7.906 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.607 4.985 -7.376 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.236 2.413 -9.722 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.408 4.125 -9.323 1.00 1.33 H new ATOM 388 N GLU A 24 7.964 4.548 -6.335 1.00 0.29 N ATOM 389 CA GLU A 24 6.527 4.307 -6.336 1.00 0.29 C ATOM 390 C GLU A 24 6.129 3.289 -7.405 1.00 0.24 C ATOM 391 O GLU A 24 5.233 2.475 -7.191 1.00 0.22 O ATOM 392 CB GLU A 24 5.773 5.619 -6.559 1.00 0.36 C ATOM 393 CG GLU A 24 6.041 6.664 -5.486 1.00 1.23 C ATOM 394 CD GLU A 24 5.295 7.960 -5.735 1.00 1.42 C ATOM 395 OE1 GLU A 24 5.846 8.838 -6.432 1.00 1.25 O ATOM 396 OE2 GLU A 24 4.159 8.097 -5.235 1.00 2.17 O ATOM 0 H GLU A 24 8.236 5.475 -6.662 1.00 0.29 H new ATOM 0 HA GLU A 24 6.259 3.895 -5.363 1.00 0.29 H new ATOM 0 HB2 GLU A 24 6.051 6.028 -7.530 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.703 5.412 -6.594 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.752 6.264 -4.514 1.00 1.23 H new ATOM 0 HG3 GLU A 24 7.111 6.868 -5.442 1.00 1.23 H new ATOM 403 N GLU A 25 6.800 3.334 -8.555 1.00 0.27 N ATOM 404 CA GLU A 25 6.495 2.414 -9.649 1.00 0.28 C ATOM 405 C GLU A 25 6.619 0.956 -9.208 1.00 0.24 C ATOM 406 O GLU A 25 5.790 0.122 -9.571 1.00 0.30 O ATOM 407 CB GLU A 25 7.400 2.682 -10.851 1.00 0.36 C ATOM 408 CG GLU A 25 8.876 2.597 -10.526 1.00 0.91 C ATOM 409 CD GLU A 25 9.756 2.890 -11.726 1.00 1.60 C ATOM 410 OE1 GLU A 25 10.100 4.072 -11.936 1.00 2.20 O ATOM 411 OE2 GLU A 25 10.102 1.937 -12.456 1.00 2.00 O ATOM 0 H GLU A 25 7.553 3.993 -8.753 1.00 0.27 H new ATOM 0 HA GLU A 25 5.460 2.589 -9.943 1.00 0.28 H new ATOM 0 HB2 GLU A 25 7.167 1.965 -11.638 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.180 3.673 -11.248 1.00 0.36 H new ATOM 0 HG2 GLU A 25 9.110 3.302 -9.728 1.00 0.91 H new ATOM 0 HG3 GLU A 25 9.104 1.601 -10.148 1.00 0.91 H new ATOM 418 N GLN A 26 7.650 0.654 -8.427 1.00 0.18 N ATOM 419 CA GLN A 26 7.864 -0.708 -7.943 1.00 0.15 C ATOM 420 C GLN A 26 6.951 -1.005 -6.762 1.00 0.13 C ATOM 421 O GLN A 26 6.312 -2.058 -6.705 1.00 0.16 O ATOM 422 CB GLN A 26 9.326 -0.909 -7.545 1.00 0.15 C ATOM 423 CG GLN A 26 10.281 -0.779 -8.718 1.00 0.19 C ATOM 424 CD GLN A 26 11.738 -0.792 -8.299 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.084 -0.347 -7.206 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.600 -1.307 -9.167 1.00 1.59 N ATOM 0 H GLN A 26 8.349 1.329 -8.116 1.00 0.18 H new ATOM 0 HA GLN A 26 7.624 -1.401 -8.750 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.594 -0.178 -6.782 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.443 -1.895 -7.096 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.102 -1.596 -9.417 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.070 0.148 -9.250 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.269 -1.665 -10.063 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.593 -1.345 -8.938 1.00 1.59 H new ATOM 435 N ARG A 27 6.896 -0.069 -5.825 1.00 0.13 N ATOM 436 CA ARG A 27 6.056 -0.213 -4.639 1.00 0.13 C ATOM 437 C ARG A 27 4.609 -0.513 -5.022 1.00 0.14 C ATOM 438 O ARG A 27 3.922 -1.273 -4.340 1.00 0.23 O ATOM 439 CB ARG A 27 6.115 1.059 -3.792 1.00 0.14 C ATOM 440 CG ARG A 27 5.246 1.001 -2.548 1.00 0.18 C ATOM 441 CD ARG A 27 5.246 2.327 -1.806 1.00 0.41 C ATOM 442 NE ARG A 27 6.574 2.682 -1.317 1.00 1.59 N ATOM 443 CZ ARG A 27 6.977 3.935 -1.119 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.159 4.947 -1.376 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.199 4.175 -0.666 1.00 3.04 N ATOM 0 H ARG A 27 7.425 0.803 -5.861 1.00 0.13 H new ATOM 0 HA ARG A 27 6.438 -1.052 -4.057 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.148 1.241 -3.495 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.805 1.907 -4.403 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.225 0.739 -2.828 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.607 0.213 -1.887 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.882 3.113 -2.468 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.554 2.272 -0.966 1.00 0.41 H new ATOM 0 HE ARG A 27 7.230 1.928 -1.116 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.218 4.766 -1.726 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.471 5.906 -1.223 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.831 3.399 -0.469 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.507 5.135 -0.514 1.00 3.04 H new ATOM 459 N ASN A 28 4.151 0.089 -6.117 1.00 0.13 N ATOM 460 CA ASN A 28 2.784 -0.115 -6.589 1.00 0.15 C ATOM 461 C ASN A 28 2.557 -1.568 -6.987 1.00 0.15 C ATOM 462 O ASN A 28 1.517 -2.151 -6.682 1.00 0.21 O ATOM 463 CB ASN A 28 2.486 0.804 -7.777 1.00 0.19 C ATOM 464 CG ASN A 28 2.146 2.218 -7.350 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.335 2.891 -7.986 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.769 2.679 -6.274 1.00 0.19 N ATOM 0 H ASN A 28 4.706 0.721 -6.694 1.00 0.13 H new ATOM 0 HA ASN A 28 2.106 0.130 -5.772 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.351 0.827 -8.440 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.656 0.392 -8.351 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.583 3.626 -5.944 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.434 2.087 -5.777 1.00 0.19 H new ATOM 473 N ALA A 29 3.538 -2.145 -7.672 1.00 0.12 N ATOM 474 CA ALA A 29 3.453 -3.533 -8.110 1.00 0.12 C ATOM 475 C ALA A 29 3.357 -4.472 -6.915 1.00 0.11 C ATOM 476 O ALA A 29 2.575 -5.423 -6.922 1.00 0.15 O ATOM 477 CB ALA A 29 4.654 -3.890 -8.973 1.00 0.15 C ATOM 0 H ALA A 29 4.402 -1.672 -7.936 1.00 0.12 H new ATOM 0 HA ALA A 29 2.548 -3.649 -8.707 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.576 -4.929 -9.292 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.678 -3.242 -9.849 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.569 -3.755 -8.397 1.00 0.15 H new ATOM 483 N PHE A 30 4.156 -4.200 -5.887 1.00 0.10 N ATOM 484 CA PHE A 30 4.150 -5.019 -4.683 1.00 0.10 C ATOM 485 C PHE A 30 2.806 -4.907 -3.973 1.00 0.12 C ATOM 486 O PHE A 30 2.234 -5.911 -3.549 1.00 0.18 O ATOM 487 CB PHE A 30 5.285 -4.605 -3.745 1.00 0.12 C ATOM 488 CG PHE A 30 6.648 -4.937 -4.280 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.059 -6.254 -4.400 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.521 -3.929 -4.659 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.314 -6.561 -4.889 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.778 -4.230 -5.149 1.00 0.21 C ATOM 493 CZ PHE A 30 9.169 -5.555 -5.275 1.00 0.20 C ATOM 0 H PHE A 30 4.813 -3.420 -5.865 1.00 0.10 H new ATOM 0 HA PHE A 30 4.305 -6.058 -4.972 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.225 -3.532 -3.564 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.150 -5.098 -2.782 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.391 -7.050 -4.108 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.216 -2.897 -4.570 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.624 -7.592 -4.968 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.453 -3.436 -5.433 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.143 -5.796 -5.675 1.00 0.20 H new ATOM 503 N ILE A 31 2.307 -3.681 -3.849 1.00 0.10 N ATOM 504 CA ILE A 31 1.022 -3.442 -3.204 1.00 0.11 C ATOM 505 C ILE A 31 -0.095 -4.129 -3.985 1.00 0.11 C ATOM 506 O ILE A 31 -1.076 -4.599 -3.407 1.00 0.16 O ATOM 507 CB ILE A 31 0.721 -1.929 -3.082 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.707 -1.270 -2.111 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.715 -1.694 -2.626 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.511 0.225 -1.958 1.00 0.13 C ATOM 0 H ILE A 31 2.773 -2.839 -4.187 1.00 0.10 H new ATOM 0 HA ILE A 31 1.073 -3.860 -2.199 1.00 0.11 H new ATOM 0 HB ILE A 31 0.841 -1.475 -4.066 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.609 -1.741 -1.133 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.723 -1.460 -2.456 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.901 -0.623 -2.548 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.403 -2.130 -3.350 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.869 -2.161 -1.653 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.246 0.618 -1.255 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.639 0.710 -2.926 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.507 0.424 -1.583 1.00 0.13 H new ATOM 522 N GLN A 32 0.067 -4.185 -5.304 1.00 0.08 N ATOM 523 CA GLN A 32 -0.915 -4.818 -6.173 1.00 0.09 C ATOM 524 C GLN A 32 -1.018 -6.317 -5.896 1.00 0.11 C ATOM 525 O GLN A 32 -2.082 -6.818 -5.530 1.00 0.19 O ATOM 526 CB GLN A 32 -0.543 -4.591 -7.640 1.00 0.11 C ATOM 527 CG GLN A 32 -1.751 -4.393 -8.535 1.00 0.15 C ATOM 528 CD GLN A 32 -1.526 -4.835 -9.963 1.00 0.29 C ATOM 529 OE1 GLN A 32 -0.422 -4.727 -10.499 1.00 0.82 O ATOM 530 NE2 GLN A 32 -2.582 -5.351 -10.580 1.00 1.04 N ATOM 0 H GLN A 32 0.873 -3.797 -5.794 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.884 -4.364 -5.967 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.104 -3.717 -7.714 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.032 -5.444 -7.999 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.594 -4.946 -8.121 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.028 -3.339 -8.529 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -3.475 -5.419 -10.092 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -2.500 -5.680 -11.542 1.00 1.04 H new ATOM 539 N SER A 33 0.094 -7.025 -6.074 1.00 0.09 N ATOM 540 CA SER A 33 0.131 -8.468 -5.859 1.00 0.11 C ATOM 541 C SER A 33 -0.187 -8.828 -4.408 1.00 0.10 C ATOM 542 O SER A 33 -0.565 -9.962 -4.112 1.00 0.15 O ATOM 543 CB SER A 33 1.502 -9.026 -6.247 1.00 0.13 C ATOM 544 OG SER A 33 1.557 -10.427 -6.048 1.00 1.19 O ATOM 0 H SER A 33 0.984 -6.621 -6.367 1.00 0.09 H new ATOM 0 HA SER A 33 -0.634 -8.917 -6.492 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.709 -8.796 -7.292 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.277 -8.541 -5.654 1.00 0.13 H new ATOM 0 HG SER A 33 2.287 -10.805 -6.582 1.00 1.19 H new ATOM 550 N LEU A 34 -0.031 -7.863 -3.509 1.00 0.10 N ATOM 551 CA LEU A 34 -0.309 -8.086 -2.091 1.00 0.11 C ATOM 552 C LEU A 34 -1.813 -8.135 -1.850 1.00 0.13 C ATOM 553 O LEU A 34 -2.297 -8.881 -0.997 1.00 0.18 O ATOM 554 CB LEU A 34 0.311 -6.968 -1.248 1.00 0.10 C ATOM 555 CG LEU A 34 0.899 -7.398 0.100 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.456 -6.192 0.838 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.146 -8.103 0.954 1.00 0.17 C ATOM 0 H LEU A 34 0.286 -6.920 -3.734 1.00 0.10 H new ATOM 0 HA LEU A 34 0.130 -9.040 -1.798 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.099 -6.493 -1.832 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.451 -6.211 -1.066 1.00 0.10 H new ATOM 0 HG LEU A 34 1.709 -8.102 -0.092 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.871 -6.510 1.794 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.240 -5.729 0.239 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.657 -5.471 1.011 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.299 -8.397 1.905 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.981 -7.428 1.138 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.505 -8.990 0.432 1.00 0.17 H new ATOM 569 N LYS A 35 -2.547 -7.334 -2.614 1.00 0.15 N ATOM 570 CA LYS A 35 -3.996 -7.266 -2.489 1.00 0.19 C ATOM 571 C LYS A 35 -4.665 -8.457 -3.168 1.00 0.22 C ATOM 572 O LYS A 35 -5.587 -9.059 -2.615 1.00 0.31 O ATOM 573 CB LYS A 35 -4.505 -5.958 -3.098 1.00 0.23 C ATOM 574 CG LYS A 35 -6.008 -5.772 -2.987 1.00 0.23 C ATOM 575 CD LYS A 35 -6.435 -5.572 -1.543 1.00 0.24 C ATOM 576 CE LYS A 35 -7.915 -5.255 -1.444 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.758 -6.458 -1.692 1.00 0.46 N ATOM 0 H LYS A 35 -2.159 -6.720 -3.330 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.251 -7.297 -1.430 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -4.008 -5.122 -2.606 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.221 -5.924 -4.150 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.315 -4.911 -3.582 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.516 -6.643 -3.401 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.215 -6.472 -0.969 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.857 -4.761 -1.100 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -8.135 -4.855 -0.454 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.169 -4.478 -2.165 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.664 -6.167 -2.112 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.264 -7.099 -2.345 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -8.936 -6.949 -0.792 1.00 0.46 H new ATOM 591 N ASP A 36 -4.198 -8.794 -4.365 1.00 0.23 N ATOM 592 CA ASP A 36 -4.757 -9.913 -5.117 1.00 0.28 C ATOM 593 C ASP A 36 -4.258 -11.244 -4.565 1.00 0.25 C ATOM 594 O ASP A 36 -4.969 -12.249 -4.599 1.00 0.33 O ATOM 595 CB ASP A 36 -4.390 -9.794 -6.596 1.00 0.34 C ATOM 596 CG ASP A 36 -5.056 -10.860 -7.443 1.00 1.07 C ATOM 597 OD1 ASP A 36 -6.267 -10.727 -7.721 1.00 0.96 O ATOM 598 OD2 ASP A 36 -4.369 -11.830 -7.825 1.00 2.07 O ATOM 0 H ASP A 36 -3.434 -8.309 -4.836 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.842 -9.881 -5.014 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -4.680 -8.809 -6.962 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -3.308 -9.869 -6.707 1.00 0.34 H new ATOM 603 N ASP A 37 -3.030 -11.242 -4.057 1.00 0.20 N ATOM 604 CA ASP A 37 -2.427 -12.446 -3.495 1.00 0.22 C ATOM 605 C ASP A 37 -1.795 -12.148 -2.137 1.00 0.18 C ATOM 606 O ASP A 37 -0.573 -12.061 -2.018 1.00 0.16 O ATOM 607 CB ASP A 37 -1.375 -13.009 -4.452 1.00 0.27 C ATOM 608 CG ASP A 37 -1.968 -13.426 -5.783 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.415 -14.586 -5.898 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.987 -12.591 -6.712 1.00 1.29 O ATOM 0 H ASP A 37 -2.431 -10.417 -4.023 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.212 -13.190 -3.356 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.603 -12.259 -4.621 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.889 -13.868 -3.989 1.00 0.27 H new ATOM 615 N PRO A 38 -2.627 -11.985 -1.092 1.00 0.21 N ATOM 616 CA PRO A 38 -2.151 -11.693 0.265 1.00 0.21 C ATOM 617 C PRO A 38 -1.236 -12.782 0.815 1.00 0.21 C ATOM 618 O PRO A 38 -0.494 -12.555 1.770 1.00 0.23 O ATOM 619 CB PRO A 38 -3.438 -11.607 1.093 1.00 0.27 C ATOM 620 CG PRO A 38 -4.468 -12.316 0.284 1.00 0.30 C ATOM 621 CD PRO A 38 -4.096 -12.070 -1.149 1.00 0.26 C ATOM 0 HA PRO A 38 -1.552 -10.783 0.290 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.311 -12.076 2.069 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.723 -10.570 1.273 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.477 -13.382 0.509 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.466 -11.936 0.501 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.430 -12.879 -1.799 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.540 -11.151 -1.531 1.00 0.26 H new ATOM 629 N SER A 39 -1.293 -13.964 0.213 1.00 0.21 N ATOM 630 CA SER A 39 -0.462 -15.082 0.647 1.00 0.23 C ATOM 631 C SER A 39 1.008 -14.808 0.340 1.00 0.21 C ATOM 632 O SER A 39 1.902 -15.370 0.974 1.00 0.24 O ATOM 633 CB SER A 39 -0.908 -16.376 -0.037 1.00 0.26 C ATOM 634 OG SER A 39 -2.257 -16.679 0.276 1.00 1.37 O ATOM 0 H SER A 39 -1.905 -14.174 -0.576 1.00 0.21 H new ATOM 0 HA SER A 39 -0.578 -15.196 1.725 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.795 -16.278 -1.117 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.265 -17.198 0.278 1.00 0.26 H new ATOM 0 HG SER A 39 -2.519 -17.509 -0.174 1.00 1.37 H new ATOM 640 N GLN A 40 1.246 -13.938 -0.637 1.00 0.19 N ATOM 641 CA GLN A 40 2.603 -13.578 -1.034 1.00 0.18 C ATOM 642 C GLN A 40 3.098 -12.377 -0.237 1.00 0.16 C ATOM 643 O GLN A 40 4.203 -11.891 -0.459 1.00 0.16 O ATOM 644 CB GLN A 40 2.656 -13.263 -2.531 1.00 0.21 C ATOM 645 CG GLN A 40 2.153 -14.396 -3.408 1.00 0.27 C ATOM 646 CD GLN A 40 2.991 -15.651 -3.278 1.00 0.34 C ATOM 647 OE1 GLN A 40 3.951 -15.851 -4.023 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.630 -16.505 -2.327 1.00 0.69 N ATOM 0 H GLN A 40 0.514 -13.468 -1.170 1.00 0.19 H new ATOM 0 HA GLN A 40 3.252 -14.428 -0.826 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.061 -12.371 -2.727 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.684 -13.028 -2.808 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.121 -14.624 -3.143 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.151 -14.071 -4.449 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.827 -16.297 -1.733 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.156 -17.368 -2.191 1.00 0.69 H new ATOM 657 N SER A 41 2.264 -11.896 0.680 1.00 0.17 N ATOM 658 CA SER A 41 2.602 -10.741 1.512 1.00 0.20 C ATOM 659 C SER A 41 4.042 -10.803 2.012 1.00 0.20 C ATOM 660 O SER A 41 4.715 -9.778 2.110 1.00 0.25 O ATOM 661 CB SER A 41 1.653 -10.656 2.707 1.00 0.23 C ATOM 662 OG SER A 41 1.614 -11.882 3.414 1.00 1.10 O ATOM 0 H SER A 41 1.342 -12.290 0.868 1.00 0.17 H new ATOM 0 HA SER A 41 2.496 -9.852 0.891 1.00 0.20 H new ATOM 0 HB2 SER A 41 1.975 -9.857 3.375 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.651 -10.399 2.363 1.00 0.23 H new ATOM 0 HG SER A 41 0.905 -12.449 3.046 1.00 1.10 H new ATOM 668 N ALA A 42 4.509 -12.006 2.326 1.00 0.18 N ATOM 669 CA ALA A 42 5.868 -12.190 2.826 1.00 0.20 C ATOM 670 C ALA A 42 6.879 -12.259 1.686 1.00 0.17 C ATOM 671 O ALA A 42 8.024 -11.829 1.835 1.00 0.18 O ATOM 672 CB ALA A 42 5.944 -13.445 3.678 1.00 0.24 C ATOM 0 H ALA A 42 3.969 -12.867 2.244 1.00 0.18 H new ATOM 0 HA ALA A 42 6.121 -11.325 3.440 1.00 0.20 H new ATOM 0 HB1 ALA A 42 6.962 -13.574 4.046 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.261 -13.353 4.523 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.664 -14.310 3.077 1.00 0.24 H new ATOM 678 N ASN A 43 6.453 -12.800 0.550 1.00 0.16 N ATOM 679 CA ASN A 43 7.325 -12.924 -0.614 1.00 0.16 C ATOM 680 C ASN A 43 7.579 -11.563 -1.246 1.00 0.13 C ATOM 681 O ASN A 43 8.723 -11.179 -1.486 1.00 0.14 O ATOM 682 CB ASN A 43 6.704 -13.871 -1.645 1.00 0.18 C ATOM 683 CG ASN A 43 6.787 -15.327 -1.226 1.00 0.21 C ATOM 684 OD1 ASN A 43 6.922 -16.219 -2.064 1.00 0.59 O ATOM 685 ND2 ASN A 43 6.703 -15.579 0.076 1.00 0.71 N ATOM 0 H ASN A 43 5.509 -13.160 0.410 1.00 0.16 H new ATOM 0 HA ASN A 43 8.278 -13.335 -0.282 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.659 -13.600 -1.798 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.210 -13.743 -2.602 1.00 0.18 H new ATOM 0 HD21 ASN A 43 6.750 -16.540 0.413 1.00 0.71 H new ATOM 0 HD22 ASN A 43 6.592 -14.811 0.738 1.00 0.71 H new ATOM 692 N LEU A 44 6.500 -10.842 -1.520 1.00 0.13 N ATOM 693 CA LEU A 44 6.585 -9.518 -2.117 1.00 0.12 C ATOM 694 C LEU A 44 7.384 -8.578 -1.223 1.00 0.11 C ATOM 695 O LEU A 44 8.097 -7.699 -1.708 1.00 0.12 O ATOM 696 CB LEU A 44 5.181 -8.967 -2.343 1.00 0.12 C ATOM 697 CG LEU A 44 4.326 -9.786 -3.310 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.853 -9.463 -3.127 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.759 -9.529 -4.746 1.00 0.23 C ATOM 0 H LEU A 44 5.547 -11.157 -1.336 1.00 0.13 H new ATOM 0 HA LEU A 44 7.098 -9.595 -3.076 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.668 -8.910 -1.383 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.261 -7.948 -2.722 1.00 0.12 H new ATOM 0 HG LEU A 44 4.471 -10.844 -3.090 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.261 -10.056 -3.824 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.553 -9.698 -2.106 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.686 -8.403 -3.320 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.141 -10.119 -5.423 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.642 -8.470 -4.977 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.804 -9.814 -4.867 1.00 0.23 H new ATOM 711 N LEU A 45 7.253 -8.768 0.086 1.00 0.12 N ATOM 712 CA LEU A 45 7.971 -7.951 1.053 1.00 0.13 C ATOM 713 C LEU A 45 9.470 -8.192 0.918 1.00 0.13 C ATOM 714 O LEU A 45 10.256 -7.255 0.802 1.00 0.15 O ATOM 715 CB LEU A 45 7.522 -8.296 2.476 1.00 0.15 C ATOM 716 CG LEU A 45 7.429 -7.123 3.461 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.357 -7.641 4.890 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.605 -6.170 3.306 1.00 0.14 C ATOM 0 H LEU A 45 6.655 -9.483 0.500 1.00 0.12 H new ATOM 0 HA LEU A 45 7.752 -6.901 0.857 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.544 -8.775 2.420 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.214 -9.032 2.885 1.00 0.15 H new ATOM 0 HG LEU A 45 6.518 -6.569 3.235 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.291 -6.799 5.579 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.476 -8.273 5.004 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.252 -8.223 5.112 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.506 -5.351 4.019 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.535 -6.706 3.495 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.617 -5.769 2.293 1.00 0.14 H new ATOM 730 N ALA A 46 9.849 -9.468 0.926 1.00 0.14 N ATOM 731 CA ALA A 46 11.247 -9.861 0.810 1.00 0.15 C ATOM 732 C ALA A 46 11.847 -9.380 -0.506 1.00 0.15 C ATOM 733 O ALA A 46 12.989 -8.923 -0.549 1.00 0.20 O ATOM 734 CB ALA A 46 11.368 -11.372 0.923 1.00 0.16 C ATOM 0 H ALA A 46 9.201 -10.251 1.012 1.00 0.14 H new ATOM 0 HA ALA A 46 11.804 -9.393 1.622 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.415 -11.661 0.836 1.00 0.16 H new ATOM 0 HB2 ALA A 46 10.982 -11.697 1.889 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.794 -11.844 0.125 1.00 0.16 H new ATOM 740 N GLU A 47 11.071 -9.487 -1.579 1.00 0.13 N ATOM 741 CA GLU A 47 11.523 -9.062 -2.898 1.00 0.15 C ATOM 742 C GLU A 47 11.614 -7.544 -2.977 1.00 0.13 C ATOM 743 O GLU A 47 12.450 -6.999 -3.697 1.00 0.17 O ATOM 744 CB GLU A 47 10.583 -9.596 -3.977 1.00 0.18 C ATOM 745 CG GLU A 47 10.791 -11.071 -4.275 1.00 0.28 C ATOM 746 CD GLU A 47 12.082 -11.340 -5.025 1.00 1.24 C ATOM 747 OE1 GLU A 47 13.121 -11.547 -4.364 1.00 2.19 O ATOM 748 OE2 GLU A 47 12.053 -11.342 -6.274 1.00 1.09 O ATOM 0 H GLU A 47 10.124 -9.865 -1.561 1.00 0.13 H new ATOM 0 HA GLU A 47 12.519 -9.471 -3.067 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.552 -9.437 -3.662 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.728 -9.023 -4.893 1.00 0.18 H new ATOM 0 HG2 GLU A 47 10.796 -11.629 -3.339 1.00 0.28 H new ATOM 0 HG3 GLU A 47 9.951 -11.441 -4.862 1.00 0.28 H new ATOM 755 N ALA A 48 10.748 -6.865 -2.232 1.00 0.10 N ATOM 756 CA ALA A 48 10.744 -5.408 -2.208 1.00 0.10 C ATOM 757 C ALA A 48 11.966 -4.895 -1.462 1.00 0.11 C ATOM 758 O ALA A 48 12.552 -3.880 -1.833 1.00 0.12 O ATOM 759 CB ALA A 48 9.466 -4.889 -1.570 1.00 0.11 C ATOM 0 H ALA A 48 10.042 -7.300 -1.638 1.00 0.10 H new ATOM 0 HA ALA A 48 10.784 -5.040 -3.233 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.481 -3.799 -1.561 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.606 -5.236 -2.144 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.393 -5.260 -0.548 1.00 0.11 H new ATOM 765 N LYS A 49 12.333 -5.602 -0.396 1.00 0.12 N ATOM 766 CA LYS A 49 13.506 -5.250 0.391 1.00 0.14 C ATOM 767 C LYS A 49 14.757 -5.599 -0.398 1.00 0.14 C ATOM 768 O LYS A 49 15.767 -4.896 -0.344 1.00 0.17 O ATOM 769 CB LYS A 49 13.497 -6.007 1.717 1.00 0.14 C ATOM 770 CG LYS A 49 12.287 -5.704 2.582 1.00 0.14 C ATOM 771 CD LYS A 49 12.311 -6.508 3.872 1.00 0.16 C ATOM 772 CE LYS A 49 11.829 -7.932 3.654 1.00 0.16 C ATOM 773 NZ LYS A 49 11.772 -8.702 4.927 1.00 0.21 N ATOM 0 H LYS A 49 11.832 -6.424 -0.059 1.00 0.12 H new ATOM 0 HA LYS A 49 13.493 -4.181 0.603 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.530 -7.078 1.515 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.401 -5.760 2.273 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.262 -4.640 2.815 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.376 -5.930 2.028 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.325 -6.524 4.272 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.682 -6.021 4.617 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.840 -7.914 3.196 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.495 -8.437 2.954 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.438 -9.668 4.734 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.721 -8.742 5.351 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.117 -8.235 5.586 1.00 0.21 H new ATOM 787 N LYS A 50 14.669 -6.702 -1.133 1.00 0.13 N ATOM 788 CA LYS A 50 15.764 -7.169 -1.967 1.00 0.16 C ATOM 789 C LYS A 50 15.979 -6.199 -3.120 1.00 0.16 C ATOM 790 O LYS A 50 17.080 -6.077 -3.657 1.00 0.22 O ATOM 791 CB LYS A 50 15.446 -8.565 -2.510 1.00 0.17 C ATOM 792 CG LYS A 50 16.511 -9.111 -3.451 1.00 0.52 C ATOM 793 CD LYS A 50 16.155 -10.499 -3.961 1.00 0.51 C ATOM 794 CE LYS A 50 16.061 -11.507 -2.826 1.00 1.36 C ATOM 795 NZ LYS A 50 17.294 -11.523 -1.993 1.00 2.10 N ATOM 0 H LYS A 50 13.839 -7.294 -1.166 1.00 0.13 H new ATOM 0 HA LYS A 50 16.674 -7.221 -1.369 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.326 -9.253 -1.673 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.491 -8.533 -3.035 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.632 -8.433 -4.296 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.469 -9.149 -2.933 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.204 -10.459 -4.492 1.00 0.51 H new ATOM 0 HD3 LYS A 50 16.907 -10.827 -4.678 1.00 0.51 H new ATOM 0 HE2 LYS A 50 15.202 -11.268 -2.199 1.00 1.36 H new ATOM 0 HE3 LYS A 50 15.888 -12.501 -3.237 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.294 -12.369 -1.389 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 18.130 -11.539 -2.611 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.321 -10.672 -1.396 1.00 2.10 H new ATOM 809 N LEU A 51 14.904 -5.514 -3.484 1.00 0.14 N ATOM 810 CA LEU A 51 14.930 -4.546 -4.569 1.00 0.15 C ATOM 811 C LEU A 51 15.340 -3.173 -4.051 1.00 0.15 C ATOM 812 O LEU A 51 16.051 -2.426 -4.725 1.00 0.18 O ATOM 813 CB LEU A 51 13.547 -4.475 -5.211 1.00 0.15 C ATOM 814 CG LEU A 51 13.452 -3.662 -6.501 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.531 -4.086 -7.491 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.069 -3.823 -7.113 1.00 0.18 C ATOM 0 H LEU A 51 13.993 -5.614 -3.037 1.00 0.14 H new ATOM 0 HA LEU A 51 15.662 -4.861 -5.313 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.211 -5.491 -5.419 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.852 -4.052 -4.486 1.00 0.15 H new ATOM 0 HG LEU A 51 13.612 -2.610 -6.263 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.443 -3.493 -8.401 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.514 -3.927 -7.048 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.409 -5.142 -7.732 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.008 -3.241 -8.032 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.890 -4.875 -7.337 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.316 -3.469 -6.409 1.00 0.18 H new ATOM 828 N ASN A 52 14.882 -2.854 -2.848 1.00 0.15 N ATOM 829 CA ASN A 52 15.200 -1.582 -2.218 1.00 0.18 C ATOM 830 C ASN A 52 16.688 -1.528 -1.897 1.00 0.17 C ATOM 831 O ASN A 52 17.290 -0.456 -1.849 1.00 0.17 O ATOM 832 CB ASN A 52 14.378 -1.402 -0.937 1.00 0.26 C ATOM 833 CG ASN A 52 14.680 -0.095 -0.227 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.055 0.930 -0.499 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.638 -0.124 0.692 1.00 0.21 N ATOM 0 H ASN A 52 14.286 -3.463 -2.287 1.00 0.15 H new ATOM 0 HA ASN A 52 14.951 -0.773 -2.905 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.317 -1.441 -1.183 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.579 -2.233 -0.261 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.880 0.725 1.203 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.132 -0.995 0.887 1.00 0.21 H new ATOM 842 N ASP A 53 17.274 -2.701 -1.680 1.00 0.18 N ATOM 843 CA ASP A 53 18.693 -2.803 -1.373 1.00 0.20 C ATOM 844 C ASP A 53 19.514 -2.817 -2.658 1.00 0.22 C ATOM 845 O ASP A 53 20.712 -2.529 -2.648 1.00 0.25 O ATOM 846 CB ASP A 53 18.975 -4.065 -0.556 1.00 0.23 C ATOM 847 CG ASP A 53 20.453 -4.260 -0.278 1.00 0.28 C ATOM 848 OD1 ASP A 53 20.972 -3.610 0.654 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.091 -5.061 -0.992 1.00 0.34 O ATOM 0 H ASP A 53 16.785 -3.596 -1.712 1.00 0.18 H new ATOM 0 HA ASP A 53 18.980 -1.933 -0.782 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.435 -4.010 0.389 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.592 -4.934 -1.092 1.00 0.23 H new ATOM 854 N ALA A 54 18.857 -3.155 -3.762 1.00 0.22 N ATOM 855 CA ALA A 54 19.514 -3.206 -5.062 1.00 0.26 C ATOM 856 C ALA A 54 19.706 -1.805 -5.625 1.00 0.28 C ATOM 857 O ALA A 54 20.635 -1.552 -6.393 1.00 0.32 O ATOM 858 CB ALA A 54 18.706 -4.056 -6.030 1.00 0.27 C ATOM 0 H ALA A 54 17.867 -3.398 -3.782 1.00 0.22 H new ATOM 0 HA ALA A 54 20.496 -3.661 -4.931 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.209 -4.085 -6.996 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.616 -5.069 -5.637 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.712 -3.625 -6.151 1.00 0.27 H new ATOM 864 N GLN A 55 18.817 -0.899 -5.236 1.00 0.27 N ATOM 865 CA GLN A 55 18.872 0.482 -5.697 1.00 0.31 C ATOM 866 C GLN A 55 19.492 1.384 -4.636 1.00 0.33 C ATOM 867 O GLN A 55 19.579 2.599 -4.814 1.00 0.41 O ATOM 868 CB GLN A 55 17.465 0.971 -6.046 1.00 0.32 C ATOM 869 CG GLN A 55 16.695 0.010 -6.938 1.00 0.32 C ATOM 870 CD GLN A 55 15.309 0.517 -7.288 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.794 0.248 -8.373 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.692 1.248 -6.366 1.00 0.29 N ATOM 0 H GLN A 55 18.046 -1.098 -4.599 1.00 0.27 H new ATOM 0 HA GLN A 55 19.498 0.524 -6.588 1.00 0.31 H new ATOM 0 HB2 GLN A 55 16.904 1.128 -5.125 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.538 1.938 -6.544 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.258 -0.157 -7.856 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.609 -0.954 -6.437 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.155 1.448 -5.479 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.755 1.610 -6.545 1.00 0.29 H new ATOM 881 N ALA A 56 19.919 0.779 -3.532 1.00 0.28 N ATOM 882 CA ALA A 56 20.533 1.522 -2.439 1.00 0.31 C ATOM 883 C ALA A 56 21.799 2.238 -2.904 1.00 0.39 C ATOM 884 O ALA A 56 22.524 1.732 -3.760 1.00 0.44 O ATOM 885 CB ALA A 56 20.851 0.589 -1.280 1.00 0.29 C ATOM 0 H ALA A 56 19.850 -0.226 -3.371 1.00 0.28 H new ATOM 0 HA ALA A 56 19.822 2.276 -2.101 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.309 1.157 -0.471 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.931 0.126 -0.923 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.541 -0.186 -1.615 1.00 0.29 H new ATOM 891 N PRO A 57 22.080 3.430 -2.345 1.00 0.45 N ATOM 892 CA PRO A 57 23.266 4.212 -2.705 1.00 0.54 C ATOM 893 C PRO A 57 24.558 3.530 -2.266 1.00 0.63 C ATOM 894 O PRO A 57 24.585 2.322 -2.034 1.00 0.83 O ATOM 895 CB PRO A 57 23.081 5.538 -1.957 1.00 0.68 C ATOM 896 CG PRO A 57 21.658 5.549 -1.503 1.00 0.61 C ATOM 897 CD PRO A 57 21.269 4.112 -1.326 1.00 0.47 C ATOM 0 HA PRO A 57 23.354 4.335 -3.785 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.763 5.608 -1.110 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.291 6.387 -2.607 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.551 6.100 -0.569 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.018 6.039 -2.237 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.494 3.752 -0.322 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.202 3.958 -1.488 1.00 0.47 H new ATOM 905 N LYS A 58 25.629 4.313 -2.155 1.00 0.75 N ATOM 906 CA LYS A 58 26.924 3.783 -1.742 1.00 0.91 C ATOM 907 C LYS A 58 26.838 3.123 -0.367 1.00 1.37 C ATOM 908 O LYS A 58 26.936 3.846 0.647 1.00 1.85 O ATOM 909 CB LYS A 58 27.973 4.899 -1.732 1.00 1.12 C ATOM 910 CG LYS A 58 27.506 6.176 -1.050 1.00 2.01 C ATOM 911 CD LYS A 58 28.593 7.239 -1.056 1.00 2.90 C ATOM 912 CE LYS A 58 28.117 8.529 -0.409 1.00 3.59 C ATOM 913 NZ LYS A 58 26.942 9.106 -1.117 1.00 4.27 N ATOM 914 OXT LYS A 58 26.672 1.887 -0.317 1.00 2.03 O ATOM 0 H LYS A 58 25.625 5.315 -2.345 1.00 0.75 H new ATOM 0 HA LYS A 58 27.223 3.021 -2.462 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.870 4.537 -1.229 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.254 5.129 -2.760 1.00 1.12 H new ATOM 0 HG2 LYS A 58 26.620 6.557 -1.557 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.216 5.956 -0.023 1.00 2.01 H new ATOM 0 HD2 LYS A 58 29.470 6.867 -0.525 1.00 2.90 H new ATOM 0 HD3 LYS A 58 28.902 7.438 -2.082 1.00 2.90 H new ATOM 0 HE2 LYS A 58 27.855 8.338 0.632 1.00 3.59 H new ATOM 0 HE3 LYS A 58 28.930 9.255 -0.405 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 26.805 10.092 -0.816 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 27.107 9.077 -2.143 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 26.092 8.553 -0.887 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 11.468 9.233 0.112 1.00 3.48 N ATOM 930 CA VAL B 101 12.156 9.168 1.427 1.00 2.61 C ATOM 931 C VAL B 101 11.153 8.984 2.566 1.00 2.18 C ATOM 932 O VAL B 101 9.967 9.272 2.412 1.00 2.41 O ATOM 933 CB VAL B 101 12.988 10.438 1.679 1.00 2.67 C ATOM 934 CG1 VAL B 101 12.077 11.620 1.929 1.00 2.50 C ATOM 935 CG2 VAL B 101 13.948 10.235 2.841 1.00 3.29 C ATOM 0 HA VAL B 101 12.822 8.306 1.400 1.00 2.61 H new ATOM 0 HB VAL B 101 13.583 10.644 0.789 1.00 2.67 H new ATOM 0 HG11 VAL B 101 12.678 12.512 2.106 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.440 11.779 1.059 1.00 2.50 H new ATOM 0 HG13 VAL B 101 11.456 11.422 2.803 1.00 2.50 H new ATOM 0 HG21 VAL B 101 14.525 11.146 3.000 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.383 10.001 3.743 1.00 3.29 H new ATOM 0 HG23 VAL B 101 14.625 9.412 2.614 1.00 3.29 H new ATOM 947 N ASP B 102 11.640 8.496 3.703 1.00 1.82 N ATOM 948 CA ASP B 102 10.790 8.271 4.868 1.00 1.99 C ATOM 949 C ASP B 102 10.314 9.592 5.466 1.00 1.57 C ATOM 950 O ASP B 102 9.362 9.622 6.247 1.00 1.98 O ATOM 951 CB ASP B 102 11.544 7.460 5.923 1.00 2.35 C ATOM 952 CG ASP B 102 10.707 7.194 7.160 1.00 3.09 C ATOM 953 OD1 ASP B 102 10.728 8.036 8.082 1.00 3.65 O ATOM 954 OD2 ASP B 102 10.031 6.145 7.205 1.00 3.25 O ATOM 0 H ASP B 102 12.620 8.249 3.843 1.00 1.82 H new ATOM 0 HA ASP B 102 9.914 7.709 4.543 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.858 6.510 5.490 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.449 7.995 6.209 1.00 2.35 H new ATOM 959 N ASN B 103 10.980 10.681 5.096 1.00 1.11 N ATOM 960 CA ASN B 103 10.620 12.003 5.597 1.00 1.29 C ATOM 961 C ASN B 103 9.307 12.483 4.985 1.00 1.11 C ATOM 962 O ASN B 103 8.769 13.518 5.382 1.00 1.40 O ATOM 963 CB ASN B 103 11.734 13.012 5.302 1.00 1.77 C ATOM 964 CG ASN B 103 12.912 12.869 6.246 1.00 2.19 C ATOM 965 OD1 ASN B 103 12.954 13.498 7.304 1.00 2.84 O ATOM 966 ND2 ASN B 103 13.880 12.042 5.868 1.00 2.04 N ATOM 0 H ASN B 103 11.771 10.675 4.452 1.00 1.11 H new ATOM 0 HA ASN B 103 10.489 11.926 6.676 1.00 1.29 H new ATOM 0 HB2 ASN B 103 12.077 12.880 4.276 1.00 1.77 H new ATOM 0 HB3 ASN B 103 11.333 14.023 5.377 1.00 1.77 H new ATOM 0 HD21 ASN B 103 14.698 11.909 6.463 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.805 11.540 4.983 1.00 2.04 H new ATOM 973 N LYS B 104 8.794 11.728 4.016 1.00 0.91 N ATOM 974 CA LYS B 104 7.541 12.083 3.357 1.00 0.83 C ATOM 975 C LYS B 104 6.349 11.797 4.265 1.00 0.58 C ATOM 976 O LYS B 104 5.714 12.718 4.780 1.00 0.72 O ATOM 977 CB LYS B 104 7.390 11.317 2.042 1.00 0.98 C ATOM 978 CG LYS B 104 8.477 11.630 1.026 1.00 1.29 C ATOM 979 CD LYS B 104 8.168 11.024 -0.336 1.00 1.55 C ATOM 980 CE LYS B 104 8.108 9.505 -0.278 1.00 1.61 C ATOM 981 NZ LYS B 104 7.845 8.908 -1.616 1.00 2.12 N ATOM 0 H LYS B 104 9.225 10.870 3.671 1.00 0.91 H new ATOM 0 HA LYS B 104 7.566 13.151 3.143 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.398 10.247 2.252 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.419 11.549 1.605 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.583 12.710 0.928 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.432 11.248 1.386 1.00 1.29 H new ATOM 0 HD2 LYS B 104 7.216 11.412 -0.699 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.931 11.331 -1.052 1.00 1.55 H new ATOM 0 HE2 LYS B 104 9.050 9.119 0.113 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.325 9.199 0.416 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 7.812 7.872 -1.533 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 6.934 9.256 -1.978 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 8.605 9.179 -2.272 1.00 2.12 H new ATOM 995 N PHE B 105 6.047 10.515 4.455 1.00 0.46 N ATOM 996 CA PHE B 105 4.932 10.111 5.304 1.00 0.37 C ATOM 997 C PHE B 105 5.412 9.788 6.716 1.00 0.57 C ATOM 998 O PHE B 105 6.568 9.417 6.918 1.00 1.14 O ATOM 999 CB PHE B 105 4.215 8.902 4.698 1.00 0.49 C ATOM 1000 CG PHE B 105 5.124 7.745 4.398 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.447 6.827 5.384 1.00 0.98 C ATOM 1002 CD2 PHE B 105 5.659 7.578 3.132 1.00 0.86 C ATOM 1003 CE1 PHE B 105 6.284 5.765 5.111 1.00 1.19 C ATOM 1004 CE2 PHE B 105 6.497 6.518 2.853 1.00 1.10 C ATOM 1005 CZ PHE B 105 6.802 5.602 3.843 1.00 1.19 C ATOM 0 H PHE B 105 6.558 9.740 4.033 1.00 0.46 H new ATOM 0 HA PHE B 105 4.231 10.943 5.364 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.436 8.571 5.385 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.718 9.210 3.778 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.039 6.944 6.377 1.00 0.98 H new ATOM 0 HD2 PHE B 105 5.417 8.286 2.353 1.00 0.86 H new ATOM 0 HE1 PHE B 105 6.534 5.061 5.891 1.00 1.19 H new ATOM 0 HE2 PHE B 105 6.914 6.404 1.863 1.00 1.10 H new ATOM 0 HZ PHE B 105 7.444 4.761 3.624 1.00 1.19 H new ATOM 1015 N ASN B 106 4.516 9.930 7.689 1.00 0.51 N ATOM 1016 CA ASN B 106 4.852 9.657 9.083 1.00 0.67 C ATOM 1017 C ASN B 106 3.800 8.764 9.732 1.00 0.67 C ATOM 1018 O ASN B 106 4.015 7.567 9.916 1.00 0.82 O ATOM 1019 CB ASN B 106 4.975 10.967 9.866 1.00 0.81 C ATOM 1020 CG ASN B 106 5.112 12.175 8.959 1.00 0.84 C ATOM 1021 OD1 ASN B 106 6.218 12.556 8.575 1.00 1.17 O ATOM 1022 ND2 ASN B 106 3.982 12.783 8.613 1.00 0.78 N ATOM 0 H ASN B 106 3.553 10.232 7.538 1.00 0.51 H new ATOM 0 HA ASN B 106 5.809 9.136 9.104 1.00 0.67 H new ATOM 0 HB2 ASN B 106 4.098 11.091 10.501 1.00 0.81 H new ATOM 0 HB3 ASN B 106 5.841 10.912 10.526 1.00 0.81 H new ATOM 0 HD21 ASN B 106 4.009 13.601 8.005 1.00 0.78 H new ATOM 0 HD22 ASN B 106 3.088 12.431 8.956 1.00 0.78 H new ATOM 1029 N LYS B 107 2.663 9.360 10.081 1.00 0.62 N ATOM 1030 CA LYS B 107 1.573 8.623 10.709 1.00 0.63 C ATOM 1031 C LYS B 107 0.267 8.845 9.958 1.00 0.54 C ATOM 1032 O LYS B 107 -0.264 7.926 9.338 1.00 0.45 O ATOM 1033 CB LYS B 107 1.406 9.058 12.165 1.00 0.79 C ATOM 1034 CG LYS B 107 0.218 8.408 12.856 1.00 0.80 C ATOM 1035 CD LYS B 107 -0.041 9.021 14.225 1.00 1.00 C ATOM 1036 CE LYS B 107 -0.516 10.462 14.113 1.00 1.07 C ATOM 1037 NZ LYS B 107 -1.761 10.575 13.305 1.00 1.78 N ATOM 0 H LYS B 107 2.474 10.352 9.939 1.00 0.62 H new ATOM 0 HA LYS B 107 1.822 7.562 10.677 1.00 0.63 H new ATOM 0 HB2 LYS B 107 2.315 8.815 12.716 1.00 0.79 H new ATOM 0 HB3 LYS B 107 1.291 10.141 12.202 1.00 0.79 H new ATOM 0 HG2 LYS B 107 -0.670 8.518 12.234 1.00 0.80 H new ATOM 0 HG3 LYS B 107 0.400 7.339 12.964 1.00 0.80 H new ATOM 0 HD2 LYS B 107 -0.790 8.431 14.753 1.00 1.00 H new ATOM 0 HD3 LYS B 107 0.872 8.983 14.820 1.00 1.00 H new ATOM 0 HE2 LYS B 107 -0.693 10.864 15.110 1.00 1.07 H new ATOM 0 HE3 LYS B 107 0.268 11.068 13.659 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 -2.218 11.489 13.497 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 -1.526 10.511 12.294 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 -2.411 9.804 13.559 1.00 1.78 H new ATOM 1051 N GLU B 108 -0.243 10.073 10.032 1.00 0.61 N ATOM 1052 CA GLU B 108 -1.491 10.443 9.368 1.00 0.62 C ATOM 1053 C GLU B 108 -1.585 9.828 7.977 1.00 0.49 C ATOM 1054 O GLU B 108 -2.652 9.380 7.556 1.00 0.53 O ATOM 1055 CB GLU B 108 -1.599 11.965 9.274 1.00 0.74 C ATOM 1056 CG GLU B 108 -1.755 12.643 10.623 1.00 0.87 C ATOM 1057 CD GLU B 108 -1.861 14.152 10.511 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -2.994 14.657 10.370 1.00 1.16 O ATOM 1059 OE2 GLU B 108 -0.812 14.826 10.567 1.00 1.37 O ATOM 0 H GLU B 108 0.194 10.835 10.550 1.00 0.61 H new ATOM 0 HA GLU B 108 -2.317 10.055 9.963 1.00 0.62 H new ATOM 0 HB2 GLU B 108 -0.709 12.355 8.780 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -2.451 12.223 8.645 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -2.645 12.256 11.119 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -0.903 12.389 11.254 1.00 0.87 H new ATOM 1066 N THR B 109 -0.463 9.811 7.269 1.00 0.39 N ATOM 1067 CA THR B 109 -0.413 9.248 5.928 1.00 0.28 C ATOM 1068 C THR B 109 -0.545 7.728 5.970 1.00 0.25 C ATOM 1069 O THR B 109 -1.300 7.140 5.196 1.00 0.27 O ATOM 1070 CB THR B 109 0.899 9.622 5.215 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.044 11.045 5.171 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.933 9.061 3.800 1.00 0.27 C ATOM 0 H THR B 109 0.426 10.182 7.603 1.00 0.39 H new ATOM 0 HA THR B 109 -1.251 9.667 5.371 1.00 0.28 H new ATOM 0 HB THR B 109 1.725 9.188 5.778 1.00 0.25 H new ATOM 0 HG1 THR B 109 1.947 11.273 4.865 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.871 9.341 3.320 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.854 7.974 3.837 1.00 0.27 H new ATOM 0 HG23 THR B 109 0.098 9.466 3.228 1.00 0.27 H new ATOM 1080 N GLN B 110 0.193 7.100 6.880 1.00 0.30 N ATOM 1081 CA GLN B 110 0.165 5.648 7.026 1.00 0.32 C ATOM 1082 C GLN B 110 -1.236 5.142 7.357 1.00 0.30 C ATOM 1083 O GLN B 110 -1.626 4.053 6.938 1.00 0.30 O ATOM 1084 CB GLN B 110 1.143 5.207 8.112 1.00 0.42 C ATOM 1085 CG GLN B 110 2.547 4.984 7.586 1.00 0.48 C ATOM 1086 CD GLN B 110 3.536 4.643 8.678 1.00 0.85 C ATOM 1087 OE1 GLN B 110 3.181 4.057 9.701 1.00 1.34 O ATOM 1088 NE2 GLN B 110 4.788 5.011 8.456 1.00 1.38 N ATOM 0 H GLN B 110 0.820 7.575 7.529 1.00 0.30 H new ATOM 0 HA GLN B 110 0.463 5.216 6.071 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.170 5.962 8.898 1.00 0.42 H new ATOM 0 HB3 GLN B 110 0.781 4.286 8.568 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.531 4.178 6.852 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.882 5.882 7.066 1.00 0.48 H new ATOM 0 HE21 GLN B 110 5.032 5.495 7.592 1.00 1.38 H new ATOM 0 HE22 GLN B 110 5.509 4.811 9.149 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.989 5.938 8.111 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.342 5.564 8.499 1.00 0.30 C ATOM 1099 C GLU B 111 -4.243 5.502 7.276 1.00 0.28 C ATOM 1100 O GLU B 111 -5.016 4.559 7.104 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.895 6.570 9.506 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.935 6.862 10.644 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.751 5.677 11.571 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -3.707 5.342 12.301 1.00 1.04 O ATOM 1105 OE2 GLU B 111 -1.651 5.085 11.567 1.00 2.25 O ATOM 0 H GLU B 111 -1.684 6.845 8.464 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.313 4.578 8.963 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -4.130 7.500 8.989 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.830 6.188 9.916 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.968 7.151 10.233 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -3.305 7.713 11.217 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.131 6.515 6.430 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.921 6.586 5.210 1.00 0.17 C ATOM 1114 C ALA B 112 -4.452 5.541 4.204 1.00 0.13 C ATOM 1115 O ALA B 112 -5.242 5.029 3.411 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.829 7.978 4.611 1.00 0.17 C ATOM 0 H ALA B 112 -3.498 7.303 6.567 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.962 6.377 5.457 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.423 8.021 3.698 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.209 8.708 5.326 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.789 8.206 4.378 1.00 0.17 H new ATOM 1122 N SER B 113 -3.158 5.232 4.245 1.00 0.13 N ATOM 1123 CA SER B 113 -2.577 4.244 3.343 1.00 0.11 C ATOM 1124 C SER B 113 -3.194 2.875 3.589 1.00 0.10 C ATOM 1125 O SER B 113 -3.644 2.206 2.659 1.00 0.12 O ATOM 1126 CB SER B 113 -1.060 4.175 3.535 1.00 0.15 C ATOM 1127 OG SER B 113 -0.456 5.441 3.325 1.00 0.92 O ATOM 0 H SER B 113 -2.493 5.652 4.894 1.00 0.13 H new ATOM 0 HA SER B 113 -2.789 4.547 2.318 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.834 3.825 4.542 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.636 3.448 2.842 1.00 0.15 H new ATOM 0 HG SER B 113 -0.568 5.994 4.126 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.214 2.468 4.852 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.775 1.180 5.231 1.00 0.10 C ATOM 1135 C TRP B 114 -5.276 1.143 4.955 1.00 0.12 C ATOM 1136 O TRP B 114 -5.802 0.137 4.482 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.495 0.900 6.710 1.00 0.13 C ATOM 1138 CG TRP B 114 -3.981 -0.440 7.175 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.851 -0.687 8.198 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.626 -1.718 6.634 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.059 -2.039 8.326 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.319 -2.692 7.378 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.789 -2.133 5.594 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.202 -4.054 7.112 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.674 -3.485 5.332 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.376 -4.431 6.088 1.00 0.23 C ATOM 0 H TRP B 114 -2.847 3.014 5.632 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.300 0.404 4.630 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.421 0.968 6.886 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -3.966 1.676 7.313 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.309 0.070 8.817 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.666 -2.483 9.015 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.242 -1.410 5.006 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.743 -4.786 7.693 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.031 -3.817 4.530 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.263 -5.480 5.858 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.957 2.250 5.241 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.398 2.344 5.019 1.00 0.18 C ATOM 1159 C GLU B 115 -7.749 2.079 3.557 1.00 0.19 C ATOM 1160 O GLU B 115 -8.844 1.607 3.247 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.911 3.724 5.439 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.064 3.883 6.942 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.310 5.318 7.364 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -7.328 6.084 7.461 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -9.483 5.676 7.597 1.00 1.80 O ATOM 0 H GLU B 115 -5.534 3.094 5.627 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.882 1.582 5.629 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.225 4.486 5.069 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.875 3.905 4.963 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -8.892 3.262 7.285 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -7.164 3.515 7.434 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.815 2.388 2.662 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.020 2.180 1.234 1.00 0.12 C ATOM 1174 C ILE B 116 -6.831 0.711 0.859 1.00 0.10 C ATOM 1175 O ILE B 116 -7.531 0.184 -0.005 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.048 3.051 0.407 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.430 4.527 0.538 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.048 2.624 -1.054 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.314 5.477 0.161 1.00 0.11 C ATOM 0 H ILE B 116 -5.907 2.784 2.903 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.045 2.473 1.006 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.039 2.913 0.796 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.295 4.727 -0.094 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.733 4.725 1.566 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.356 3.251 -1.616 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.736 1.582 -1.129 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.052 2.732 -1.465 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.656 6.505 0.278 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.455 5.305 0.809 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.026 5.306 -0.876 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.885 0.057 1.523 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.588 -1.346 1.259 1.00 0.09 C ATOM 1193 C PHE B 117 -6.609 -2.265 1.927 1.00 0.11 C ATOM 1194 O PHE B 117 -6.814 -3.397 1.491 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.183 -1.679 1.766 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.628 -2.968 1.230 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.883 -4.169 1.873 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.859 -2.980 0.079 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.378 -5.357 1.378 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.351 -4.163 -0.421 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.591 -5.350 0.244 1.00 0.20 C ATOM 0 H PHE B 117 -5.308 0.478 2.251 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.640 -1.508 0.182 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.509 -0.866 1.497 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.203 -1.729 2.855 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.483 -4.177 2.771 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.654 -2.052 -0.435 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.599 -6.289 1.878 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.767 -4.160 -1.330 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.163 -6.271 -0.123 1.00 0.20 H new ATOM 1211 N THR B 118 -7.250 -1.769 2.980 1.00 0.12 N ATOM 1212 CA THR B 118 -8.237 -2.554 3.711 1.00 0.16 C ATOM 1213 C THR B 118 -9.533 -2.709 2.924 1.00 0.18 C ATOM 1214 O THR B 118 -10.393 -3.510 3.289 1.00 0.34 O ATOM 1215 CB THR B 118 -8.548 -1.929 5.080 1.00 0.19 C ATOM 1216 OG1 THR B 118 -8.952 -0.565 4.920 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.331 -2.001 5.988 1.00 0.20 C ATOM 0 H THR B 118 -7.104 -0.828 3.346 1.00 0.12 H new ATOM 0 HA THR B 118 -7.798 -3.540 3.860 1.00 0.16 H new ATOM 0 HB THR B 118 -9.362 -2.492 5.537 1.00 0.19 H new ATOM 0 HG1 THR B 118 -9.149 -0.177 5.798 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.570 -1.554 6.953 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.045 -3.043 6.132 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.504 -1.458 5.531 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.671 -1.942 1.847 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.864 -2.011 1.010 1.00 0.14 C ATOM 1227 C LEU B 119 -10.849 -3.299 0.184 1.00 0.15 C ATOM 1228 O LEU B 119 -10.058 -3.428 -0.748 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.939 -0.786 0.099 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.943 0.552 0.841 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.708 1.704 -0.123 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.253 0.743 1.589 1.00 1.01 C ATOM 0 H LEU B 119 -8.973 -1.267 1.534 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.748 -2.019 1.648 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.092 -0.805 -0.586 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.842 -0.854 -0.508 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.129 0.542 1.566 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.715 2.645 0.426 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.743 1.577 -0.613 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.498 1.717 -0.874 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.238 1.700 2.111 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.082 0.729 0.881 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.380 -0.063 2.312 1.00 1.01 H new ATOM 1244 N PRO B 120 -11.732 -4.264 0.509 1.00 0.21 N ATOM 1245 CA PRO B 120 -11.785 -5.556 -0.187 1.00 0.26 C ATOM 1246 C PRO B 120 -12.367 -5.458 -1.592 1.00 0.26 C ATOM 1247 O PRO B 120 -12.019 -6.246 -2.472 1.00 0.38 O ATOM 1248 CB PRO B 120 -12.692 -6.398 0.710 1.00 0.36 C ATOM 1249 CG PRO B 120 -13.584 -5.410 1.377 1.00 0.38 C ATOM 1250 CD PRO B 120 -12.764 -4.162 1.560 1.00 0.35 C ATOM 0 HA PRO B 120 -10.789 -5.973 -0.334 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.265 -7.120 0.128 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.113 -6.964 1.439 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.467 -5.210 0.770 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -13.936 -5.789 2.336 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.370 -3.264 1.441 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.320 -4.117 2.554 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.255 -4.495 -1.799 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.886 -4.309 -3.098 1.00 0.23 C ATOM 1260 C ASN B 121 -12.881 -3.812 -4.132 1.00 0.19 C ATOM 1261 O ASN B 121 -13.056 -4.024 -5.332 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.051 -3.326 -2.981 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.088 -3.789 -1.977 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -16.309 -4.988 -1.805 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.725 -2.841 -1.304 1.00 0.50 N ATOM 0 H ASN B 121 -13.554 -3.831 -1.085 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.265 -5.275 -3.432 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.671 -2.348 -2.685 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.521 -3.203 -3.957 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.430 -3.093 -0.611 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.510 -1.859 -1.479 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.830 -3.151 -3.659 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.799 -2.629 -4.546 1.00 0.13 C ATOM 1274 C LEU B 122 -9.779 -3.698 -4.912 1.00 0.16 C ATOM 1275 O LEU B 122 -9.480 -4.592 -4.120 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.094 -1.441 -3.894 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.588 -0.066 -4.349 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.108 -0.016 -4.355 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.018 1.020 -3.454 1.00 0.19 C ATOM 0 H LEU B 122 -11.671 -2.965 -2.669 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.288 -2.303 -5.464 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.215 -1.514 -2.813 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.026 -1.513 -4.101 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.241 0.108 -5.367 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.438 0.970 -4.681 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.494 -0.773 -5.038 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.482 -0.210 -3.350 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.377 1.993 -3.789 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.338 0.849 -2.426 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -8.929 0.998 -3.504 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.252 -3.594 -6.125 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.259 -4.532 -6.620 1.00 0.20 C ATOM 1293 C ASN B 123 -6.857 -3.978 -6.390 1.00 0.19 C ATOM 1294 O ASN B 123 -6.698 -2.796 -6.087 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.492 -4.799 -8.110 1.00 0.28 C ATOM 1296 CG ASN B 123 -7.399 -5.639 -8.736 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -7.469 -6.868 -8.744 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -6.383 -4.976 -9.269 1.00 1.39 N ATOM 0 H ASN B 123 -9.501 -2.860 -6.789 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.353 -5.473 -6.077 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -9.450 -5.304 -8.238 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -8.560 -3.848 -8.638 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -5.617 -5.485 -9.709 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -6.367 -3.957 -9.239 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.847 -4.832 -6.526 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.475 -4.404 -6.325 1.00 0.11 C ATOM 1307 C GLY B 124 -4.159 -3.098 -7.031 1.00 0.11 C ATOM 1308 O GLY B 124 -3.665 -2.157 -6.413 1.00 0.17 O ATOM 0 H GLY B 124 -5.955 -5.816 -6.773 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.287 -4.290 -5.257 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.800 -5.180 -6.686 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.431 -3.048 -8.328 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.181 -1.860 -9.123 1.00 0.14 C ATOM 1314 C ARG B 125 -4.901 -0.634 -8.570 1.00 0.12 C ATOM 1315 O ARG B 125 -4.314 0.443 -8.462 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.623 -2.120 -10.557 1.00 0.20 C ATOM 1317 CG ARG B 125 -3.502 -2.593 -11.443 1.00 0.58 C ATOM 1318 CD ARG B 125 -3.847 -2.427 -12.911 1.00 0.90 C ATOM 1319 NE ARG B 125 -2.774 -2.893 -13.784 1.00 1.75 N ATOM 1320 CZ ARG B 125 -2.916 -3.079 -15.093 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -4.082 -2.842 -15.679 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -1.890 -3.508 -15.817 1.00 3.25 N ATOM 0 H ARG B 125 -4.829 -3.827 -8.853 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.112 -1.648 -9.087 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.417 -2.866 -10.556 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -5.045 -1.205 -10.972 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -2.595 -2.032 -11.215 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -3.289 -3.641 -11.234 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -4.760 -2.980 -13.133 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.052 -1.377 -13.118 1.00 0.90 H new ATOM 0 HE ARG B 125 -1.864 -3.087 -13.366 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -4.874 -2.516 -15.125 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -4.187 -2.986 -16.683 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -0.993 -3.695 -15.369 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -1.999 -3.651 -16.821 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.170 -0.800 -8.226 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.971 0.296 -7.702 1.00 0.11 C ATOM 1338 C GLN B 126 -6.372 0.869 -6.416 1.00 0.09 C ATOM 1339 O GLN B 126 -6.147 2.075 -6.318 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.402 -0.181 -7.475 1.00 0.13 C ATOM 1341 CG GLN B 126 -8.976 -0.901 -8.684 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.455 -1.197 -8.549 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -10.851 -2.245 -8.041 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.278 -0.267 -9.012 1.00 0.64 N ATOM 0 H GLN B 126 -6.668 -1.687 -8.301 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.975 1.102 -8.436 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.426 -0.849 -6.614 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.032 0.675 -7.233 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.812 -0.293 -9.574 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.436 -1.836 -8.833 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.902 0.587 -9.425 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.287 -0.405 -8.955 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.113 0.007 -5.435 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.538 0.451 -4.167 1.00 0.08 C ATOM 1355 C VAL B 127 -4.130 1.011 -4.359 1.00 0.08 C ATOM 1356 O VAL B 127 -3.828 2.108 -3.890 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.501 -0.688 -3.123 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.910 -1.089 -2.724 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.735 -1.891 -3.654 1.00 0.10 C ATOM 0 H VAL B 127 -6.291 -0.996 -5.492 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.187 1.243 -3.793 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.980 -0.319 -2.239 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.865 -1.892 -1.988 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.424 -0.230 -2.293 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.453 -1.433 -3.604 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.724 -2.678 -2.899 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.220 -2.261 -4.557 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.711 -1.597 -3.886 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.275 0.264 -5.057 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.901 0.698 -5.303 1.00 0.10 C ATOM 1371 C ALA B 128 -1.873 2.061 -5.987 1.00 0.10 C ATOM 1372 O ALA B 128 -0.857 2.756 -5.968 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.156 -0.335 -6.141 1.00 0.10 C ATOM 0 H ALA B 128 -3.509 -0.643 -5.461 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.399 0.792 -4.340 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.135 0.005 -6.314 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.136 -1.288 -5.611 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.663 -0.462 -7.097 1.00 0.10 H new ATOM 1379 N ALA B 129 -2.996 2.434 -6.590 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.108 3.718 -7.270 1.00 0.09 C ATOM 1381 C ALA B 129 -3.403 4.826 -6.268 1.00 0.09 C ATOM 1382 O ALA B 129 -2.940 5.957 -6.418 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.189 3.663 -8.339 1.00 0.10 C ATOM 0 H ALA B 129 -3.842 1.865 -6.622 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.157 3.936 -7.755 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.259 4.630 -8.836 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -3.938 2.896 -9.071 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.146 3.423 -7.876 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.181 4.487 -5.244 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.536 5.439 -4.202 1.00 0.08 C ATOM 1391 C PHE B 130 -3.381 5.606 -3.218 1.00 0.09 C ATOM 1392 O PHE B 130 -3.248 6.647 -2.573 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.797 4.977 -3.466 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.065 5.169 -4.253 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.575 6.438 -4.483 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.749 4.075 -4.759 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.740 6.610 -5.205 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.916 4.244 -5.481 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.411 5.512 -5.704 1.00 0.16 C ATOM 0 H PHE B 130 -4.578 3.556 -5.116 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.738 6.403 -4.668 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.693 3.922 -3.214 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.878 5.523 -2.526 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.056 7.301 -4.093 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.366 3.080 -4.588 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.126 7.604 -5.379 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.440 3.383 -5.870 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.322 5.645 -6.268 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.547 4.573 -3.106 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.395 4.614 -2.211 1.00 0.09 C ATOM 1411 C ILE B 131 -0.303 5.485 -2.814 1.00 0.10 C ATOM 1412 O ILE B 131 0.299 6.311 -2.132 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.818 3.206 -1.950 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.915 2.249 -1.473 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.313 3.277 -0.929 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.412 2.533 -0.075 1.00 0.13 C ATOM 0 H ILE B 131 -2.648 3.700 -3.623 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.736 5.029 -1.262 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.416 2.821 -2.887 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.756 2.303 -2.165 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.535 1.228 -1.512 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.710 2.277 -0.755 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.106 3.921 -1.309 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.068 3.684 0.008 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.187 1.813 0.189 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.584 2.450 0.629 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.824 3.541 -0.033 1.00 0.13 H new ATOM 1428 N SER B 132 -0.060 5.286 -4.106 1.00 0.11 N ATOM 1429 CA SER B 132 0.954 6.047 -4.827 1.00 0.13 C ATOM 1430 C SER B 132 0.721 7.543 -4.664 1.00 0.15 C ATOM 1431 O SER B 132 1.611 8.278 -4.236 1.00 0.21 O ATOM 1432 CB SER B 132 0.930 5.680 -6.310 1.00 0.17 C ATOM 1433 OG SER B 132 1.926 6.388 -7.029 1.00 0.63 O ATOM 0 H SER B 132 -0.554 4.601 -4.677 1.00 0.11 H new ATOM 0 HA SER B 132 1.930 5.798 -4.410 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.088 4.608 -6.425 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.052 5.904 -6.727 1.00 0.17 H new ATOM 0 HG SER B 132 1.890 6.134 -7.975 1.00 0.63 H new ATOM 1439 N SER B 133 -0.483 7.984 -5.013 1.00 0.15 N ATOM 1440 CA SER B 133 -0.848 9.393 -4.906 1.00 0.19 C ATOM 1441 C SER B 133 -0.667 9.893 -3.478 1.00 0.18 C ATOM 1442 O SER B 133 -0.364 11.066 -3.253 1.00 0.26 O ATOM 1443 CB SER B 133 -2.300 9.599 -5.335 1.00 0.23 C ATOM 1444 OG SER B 133 -2.564 10.965 -5.606 1.00 0.74 O ATOM 0 H SER B 133 -1.225 7.384 -5.374 1.00 0.15 H new ATOM 0 HA SER B 133 -0.191 9.961 -5.565 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.508 9.002 -6.223 1.00 0.23 H new ATOM 0 HB3 SER B 133 -2.968 9.245 -4.550 1.00 0.23 H new ATOM 0 HG SER B 133 -3.260 11.034 -6.292 1.00 0.74 H new ATOM 1450 N LEU B 134 -0.858 8.995 -2.517 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.730 9.340 -1.106 1.00 0.13 C ATOM 1452 C LEU B 134 0.681 9.819 -0.773 1.00 0.15 C ATOM 1453 O LEU B 134 0.864 10.929 -0.274 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.104 8.142 -0.228 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.251 8.393 0.751 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.489 7.166 1.615 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.956 9.606 1.616 1.00 0.20 C ATOM 0 H LEU B 134 -1.103 8.020 -2.691 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.419 10.160 -0.901 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.374 7.307 -0.874 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.224 7.836 0.337 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.157 8.592 0.179 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.309 7.361 2.306 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -2.744 6.318 0.980 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.585 6.937 2.179 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.783 9.770 2.307 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.039 9.436 2.181 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.834 10.484 0.982 1.00 0.20 H new ATOM 1469 N LEU B 135 1.677 8.982 -1.050 1.00 0.17 N ATOM 1470 CA LEU B 135 3.065 9.340 -0.772 1.00 0.22 C ATOM 1471 C LEU B 135 3.529 10.460 -1.697 1.00 0.24 C ATOM 1472 O LEU B 135 4.398 11.255 -1.339 1.00 0.31 O ATOM 1473 CB LEU B 135 3.983 8.119 -0.928 1.00 0.26 C ATOM 1474 CG LEU B 135 3.737 6.942 0.035 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.829 7.333 1.194 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.153 5.761 -0.720 1.00 0.65 C ATOM 0 H LEU B 135 1.551 8.058 -1.464 1.00 0.17 H new ATOM 0 HA LEU B 135 3.121 9.691 0.259 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.887 7.749 -1.949 1.00 0.26 H new ATOM 0 HB3 LEU B 135 5.014 8.450 -0.804 1.00 0.26 H new ATOM 0 HG LEU B 135 4.700 6.657 0.459 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.683 6.473 1.848 1.00 0.67 H new ATOM 0 HD12 LEU B 135 3.289 8.144 1.759 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.865 7.662 0.806 1.00 0.67 H new ATOM 0 HD21 LEU B 135 2.983 4.935 -0.029 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.207 6.053 -1.176 1.00 0.65 H new ATOM 0 HD23 LEU B 135 3.849 5.446 -1.498 1.00 0.65 H new ATOM 1488 N ASP B 136 2.940 10.518 -2.888 1.00 0.22 N ATOM 1489 CA ASP B 136 3.286 11.543 -3.868 1.00 0.26 C ATOM 1490 C ASP B 136 2.712 12.895 -3.459 1.00 0.25 C ATOM 1491 O ASP B 136 3.163 13.940 -3.928 1.00 0.29 O ATOM 1492 CB ASP B 136 2.764 11.152 -5.252 1.00 0.29 C ATOM 1493 CG ASP B 136 2.997 12.236 -6.287 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.126 12.319 -6.816 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.053 13.003 -6.567 1.00 0.40 O ATOM 0 H ASP B 136 2.220 9.866 -3.198 1.00 0.22 H new ATOM 0 HA ASP B 136 4.372 11.624 -3.908 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.254 10.234 -5.576 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.697 10.939 -5.188 1.00 0.29 H new ATOM 1500 N ASP B 137 1.717 12.863 -2.579 1.00 0.24 N ATOM 1501 CA ASP B 137 1.073 14.082 -2.106 1.00 0.27 C ATOM 1502 C ASP B 137 0.243 13.807 -0.852 1.00 0.22 C ATOM 1503 O ASP B 137 -0.983 13.714 -0.920 1.00 0.24 O ATOM 1504 CB ASP B 137 0.184 14.674 -3.203 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.413 16.009 -2.805 1.00 1.19 C ATOM 1506 OD1 ASP B 137 -1.514 16.014 -2.215 1.00 2.13 O ATOM 1507 OD2 ASP B 137 0.218 17.050 -3.084 1.00 1.42 O ATOM 0 H ASP B 137 1.339 12.004 -2.179 1.00 0.24 H new ATOM 0 HA ASP B 137 1.852 14.801 -1.854 1.00 0.27 H new ATOM 0 HB2 ASP B 137 0.770 14.798 -4.114 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.619 13.974 -3.433 1.00 0.38 H new ATOM 1512 N PRO B 138 0.906 13.665 0.313 1.00 0.19 N ATOM 1513 CA PRO B 138 0.225 13.401 1.587 1.00 0.21 C ATOM 1514 C PRO B 138 -0.813 14.466 1.927 1.00 0.22 C ATOM 1515 O PRO B 138 -1.613 14.292 2.847 1.00 0.31 O ATOM 1516 CB PRO B 138 1.360 13.419 2.615 1.00 0.24 C ATOM 1517 CG PRO B 138 2.590 13.123 1.831 1.00 0.25 C ATOM 1518 CD PRO B 138 2.370 13.737 0.479 1.00 0.23 C ATOM 0 HA PRO B 138 -0.328 12.462 1.559 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.430 14.388 3.110 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.199 12.674 3.394 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.472 13.544 2.313 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.753 12.048 1.751 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.730 14.765 0.440 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.892 13.186 -0.304 1.00 0.23 H new ATOM 1526 N SER B 139 -0.795 15.569 1.185 1.00 0.20 N ATOM 1527 CA SER B 139 -1.738 16.657 1.412 1.00 0.22 C ATOM 1528 C SER B 139 -3.161 16.220 1.078 1.00 0.19 C ATOM 1529 O SER B 139 -4.109 16.558 1.789 1.00 0.19 O ATOM 1530 CB SER B 139 -1.356 17.879 0.575 1.00 0.28 C ATOM 1531 OG SER B 139 -2.265 18.947 0.785 1.00 1.15 O ATOM 0 H SER B 139 -0.138 15.732 0.422 1.00 0.20 H new ATOM 0 HA SER B 139 -1.697 16.925 2.468 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.347 18.200 0.834 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.344 17.610 -0.481 1.00 0.28 H new ATOM 0 HG SER B 139 -1.998 19.716 0.240 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.303 15.467 -0.010 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.610 14.977 -0.438 1.00 0.17 C ATOM 1539 C GLN B 140 -4.911 13.622 0.184 1.00 0.15 C ATOM 1540 O GLN B 140 -5.781 12.899 -0.290 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.669 14.856 -1.960 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.622 16.187 -2.686 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.753 17.113 -2.286 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.830 17.092 -2.883 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.514 17.934 -1.271 1.00 1.37 N ATOM 0 H GLN B 140 -2.529 15.183 -0.611 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.357 15.697 -0.104 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.836 14.240 -2.298 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.585 14.334 -2.238 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.669 16.675 -2.480 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.665 16.011 -3.761 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.607 17.918 -0.805 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.237 18.581 -0.957 1.00 1.37 H new ATOM 1554 N SER B 141 -4.185 13.287 1.243 1.00 0.15 N ATOM 1555 CA SER B 141 -4.363 12.010 1.930 1.00 0.13 C ATOM 1556 C SER B 141 -5.836 11.704 2.184 1.00 0.13 C ATOM 1557 O SER B 141 -6.347 10.673 1.749 1.00 0.18 O ATOM 1558 CB SER B 141 -3.601 12.017 3.258 1.00 0.15 C ATOM 1559 OG SER B 141 -3.789 10.799 3.960 1.00 1.01 O ATOM 0 H SER B 141 -3.464 13.884 1.648 1.00 0.15 H new ATOM 0 HA SER B 141 -3.965 11.230 1.281 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.539 12.172 3.071 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.941 12.851 3.872 1.00 0.15 H new ATOM 0 HG SER B 141 -3.291 10.828 4.804 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.513 12.602 2.890 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.924 12.416 3.208 1.00 0.17 C ATOM 1567 C ALA B 142 -8.785 12.365 1.951 1.00 0.17 C ATOM 1568 O ALA B 142 -9.833 11.722 1.939 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.405 13.523 4.132 1.00 0.20 C ATOM 0 H ALA B 142 -6.108 13.465 3.253 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.025 11.456 3.715 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.460 13.373 4.362 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.826 13.503 5.055 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.274 14.488 3.642 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.343 13.043 0.895 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.094 13.069 -0.355 1.00 0.18 C ATOM 1577 C ASN B 143 -8.823 11.815 -1.173 1.00 0.16 C ATOM 1578 O ASN B 143 -9.651 11.390 -1.976 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.736 14.311 -1.170 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.875 15.590 -0.367 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -9.936 16.215 -0.352 1.00 0.26 O ATOM 1582 ND2 ASN B 143 -7.801 15.987 0.305 1.00 0.23 N ATOM 0 H ASN B 143 -7.475 13.578 0.880 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.156 13.102 -0.110 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.712 14.222 -1.532 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.380 14.364 -2.048 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -7.835 16.841 0.862 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -6.942 15.438 0.264 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.655 11.231 -0.953 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.244 10.030 -1.657 1.00 0.12 C ATOM 1591 C LEU B 144 -7.874 8.803 -1.019 1.00 0.11 C ATOM 1592 O LEU B 144 -8.217 7.838 -1.703 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.721 9.936 -1.645 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.014 10.987 -2.503 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.531 11.011 -2.192 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.255 10.713 -3.979 1.00 0.14 C ATOM 0 H LEU B 144 -6.968 11.577 -0.283 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.584 10.077 -2.691 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.372 10.030 -0.617 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.428 8.945 -1.992 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.426 11.968 -2.267 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.042 11.764 -2.810 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.384 11.254 -1.140 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.099 10.032 -2.402 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.746 11.469 -4.577 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.867 9.727 -4.234 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.325 10.747 -4.185 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.020 8.849 0.296 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.644 7.763 1.029 1.00 0.11 C ATOM 1610 C LEU B 145 -10.147 7.852 0.837 1.00 0.12 C ATOM 1611 O LEU B 145 -10.850 6.843 0.807 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.286 7.835 2.517 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.214 7.053 3.451 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.246 5.581 3.075 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.780 7.225 4.897 1.00 0.16 C ATOM 0 H LEU B 145 -7.714 9.629 0.877 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.279 6.809 0.649 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.269 7.464 2.648 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.286 8.881 2.824 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.222 7.452 3.342 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.912 5.047 3.753 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.608 5.474 2.052 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.242 5.164 3.150 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.450 6.663 5.547 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.762 6.855 5.018 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.816 8.281 5.165 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.625 9.084 0.703 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.038 9.333 0.482 1.00 0.17 C ATOM 1629 C ALA B 146 -12.465 8.722 -0.841 1.00 0.16 C ATOM 1630 O ALA B 146 -13.427 7.960 -0.902 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.326 10.828 0.495 1.00 0.20 C ATOM 0 H ALA B 146 -10.050 9.926 0.744 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.608 8.870 1.288 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.390 10.995 0.328 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.041 11.245 1.461 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.754 11.316 -0.294 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.720 9.048 -1.896 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.003 8.528 -3.225 1.00 0.19 C ATOM 1639 C GLU B 147 -11.988 7.014 -3.188 1.00 0.16 C ATOM 1640 O GLU B 147 -12.862 6.352 -3.744 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.956 9.030 -4.215 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.994 10.530 -4.430 1.00 0.18 C ATOM 1643 CD GLU B 147 -12.004 10.947 -5.482 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.219 10.835 -5.215 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.579 11.386 -6.571 1.00 0.57 O ATOM 0 H GLU B 147 -10.914 9.672 -1.852 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.986 8.874 -3.544 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.966 8.748 -3.858 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.104 8.530 -5.172 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.234 11.022 -3.487 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -10.004 10.875 -4.727 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.971 6.482 -2.529 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.818 5.046 -2.380 1.00 0.12 C ATOM 1654 C ALA B 148 -12.067 4.435 -1.761 1.00 0.14 C ATOM 1655 O ALA B 148 -12.547 3.393 -2.206 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.605 4.741 -1.524 1.00 0.11 C ATOM 0 H ALA B 148 -10.234 7.030 -2.086 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.675 4.607 -3.367 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.497 3.662 -1.417 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.713 5.149 -1.999 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.731 5.192 -0.540 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.585 5.089 -0.724 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.784 4.616 -0.047 1.00 0.17 C ATOM 1664 C LYS B 149 -15.001 4.740 -0.959 1.00 0.17 C ATOM 1665 O LYS B 149 -15.921 3.927 -0.889 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.005 5.386 1.259 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.166 4.863 2.416 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.497 5.567 3.721 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.695 6.845 3.877 1.00 0.59 C ATOM 1670 NZ LYS B 149 -13.375 7.823 4.768 1.00 1.01 N ATOM 0 H LYS B 149 -12.192 5.947 -0.337 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.647 3.563 0.197 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.771 6.438 1.096 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.059 5.332 1.530 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.332 3.792 2.529 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.109 4.999 2.188 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -14.562 5.797 3.752 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -13.290 4.901 4.559 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -11.711 6.609 4.282 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -12.537 7.296 2.897 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.794 8.682 4.848 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -14.304 8.069 4.369 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.503 7.403 5.711 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.002 5.760 -1.816 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.101 5.962 -2.752 1.00 0.20 C ATOM 1686 C LYS B 150 -16.105 4.850 -3.790 1.00 0.21 C ATOM 1687 O LYS B 150 -17.160 4.375 -4.209 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.979 7.318 -3.449 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.988 8.499 -2.495 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.105 9.821 -3.237 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.483 9.998 -3.853 1.00 1.28 C ATOM 1692 NZ LYS B 150 -17.591 11.274 -4.612 1.00 1.99 N ATOM 0 H LYS B 150 -14.258 6.454 -1.880 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.037 5.943 -2.194 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.055 7.337 -4.028 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.801 7.428 -4.157 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.820 8.398 -1.799 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.074 8.494 -1.902 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -15.905 10.643 -2.550 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.348 9.868 -4.019 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.694 9.161 -4.518 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -18.238 9.978 -3.067 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -18.545 11.358 -5.017 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -17.415 12.075 -3.972 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -16.888 11.283 -5.378 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.907 4.443 -4.197 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.745 3.385 -5.181 1.00 0.16 C ATOM 1708 C LEU B 151 -15.180 2.048 -4.592 1.00 0.15 C ATOM 1709 O LEU B 151 -15.942 1.302 -5.205 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.286 3.317 -5.638 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.989 2.292 -6.732 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.893 2.517 -7.931 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.526 2.366 -7.139 1.00 0.18 C ATOM 0 H LEU B 151 -14.029 4.835 -3.856 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.373 3.604 -6.044 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.989 4.303 -5.997 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.662 3.091 -4.773 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.187 1.295 -6.339 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.668 1.778 -8.700 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.934 2.417 -7.625 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.727 3.518 -8.329 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.328 1.631 -7.919 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.303 3.364 -7.516 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.897 2.156 -6.274 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.674 1.754 -3.400 1.00 0.13 N ATOM 1726 CA ASN B 152 -15.019 0.522 -2.696 1.00 0.14 C ATOM 1727 C ASN B 152 -16.530 0.349 -2.621 1.00 0.17 C ATOM 1728 O ASN B 152 -17.073 -0.653 -3.081 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.430 0.541 -1.285 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.913 -0.621 -0.438 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -15.945 -0.534 0.227 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -14.165 -1.716 -0.459 1.00 0.69 N ATOM 0 H ASN B 152 -14.020 2.354 -2.898 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.600 -0.318 -3.250 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.342 0.513 -1.348 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.696 1.478 -0.796 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -14.438 -2.531 0.091 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -13.317 -1.744 -1.025 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.201 1.335 -2.034 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.654 1.299 -1.901 1.00 0.23 C ATOM 1741 C ASP B 153 -19.330 1.291 -3.270 1.00 0.25 C ATOM 1742 O ASP B 153 -20.483 0.879 -3.400 1.00 0.31 O ATOM 1743 CB ASP B 153 -19.145 2.496 -1.086 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.763 2.394 0.378 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -19.547 1.808 1.154 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -17.683 2.899 0.747 1.00 2.25 O ATOM 0 H ASP B 153 -16.762 2.169 -1.643 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.920 0.379 -1.380 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.729 3.412 -1.504 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -20.229 2.570 -1.172 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.607 1.746 -4.289 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.142 1.786 -5.644 1.00 0.28 C ATOM 1753 C ALA B 154 -19.270 0.380 -6.220 1.00 0.30 C ATOM 1754 O ALA B 154 -20.306 0.019 -6.779 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.261 2.648 -6.539 1.00 0.28 C ATOM 0 H ALA B 154 -17.651 2.091 -4.202 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.137 2.229 -5.603 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.675 2.667 -7.547 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.223 3.663 -6.143 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.254 2.232 -6.568 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.209 -0.407 -6.078 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.200 -1.779 -6.575 1.00 0.35 C ATOM 1763 C GLN B 155 -18.763 -2.726 -5.524 1.00 0.36 C ATOM 1764 O GLN B 155 -19.067 -3.884 -5.814 1.00 0.44 O ATOM 1765 CB GLN B 155 -16.778 -2.200 -6.945 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.049 -1.192 -7.816 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.629 -1.619 -8.129 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.373 -2.276 -9.137 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -13.695 -1.251 -7.258 1.00 0.39 N ATOM 0 H GLN B 155 -17.343 -0.118 -5.622 1.00 0.30 H new ATOM 0 HA GLN B 155 -18.826 -1.827 -7.466 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.206 -2.357 -6.031 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -16.816 -3.157 -7.466 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.598 -1.056 -8.748 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.032 -0.226 -7.312 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -13.952 -0.706 -6.435 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -12.722 -1.513 -7.413 1.00 0.39 H new ATOM 1778 N ALA B 156 -18.889 -2.222 -4.300 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.415 -3.009 -3.191 1.00 0.34 C ATOM 1780 C ALA B 156 -20.744 -3.667 -3.559 1.00 0.47 C ATOM 1781 O ALA B 156 -21.480 -3.155 -4.405 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.582 -2.131 -1.959 1.00 0.36 C ATOM 0 H ALA B 156 -18.632 -1.267 -4.051 1.00 0.31 H new ATOM 0 HA ALA B 156 -18.700 -3.801 -2.969 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.975 -2.729 -1.137 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.615 -1.715 -1.675 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -20.275 -1.320 -2.182 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.075 -4.811 -2.930 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.325 -5.529 -3.209 1.00 0.68 C ATOM 1790 C PRO B 157 -23.551 -4.651 -2.991 1.00 0.79 C ATOM 1791 O PRO B 157 -24.318 -4.395 -3.921 1.00 0.89 O ATOM 1792 CB PRO B 157 -22.313 -6.689 -2.207 1.00 0.81 C ATOM 1793 CG PRO B 157 -20.883 -6.858 -1.823 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.266 -5.490 -1.901 1.00 0.48 C ATOM 0 HA PRO B 157 -22.382 -5.854 -4.248 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -22.931 -6.465 -1.337 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -22.711 -7.600 -2.654 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -20.796 -7.268 -0.817 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -20.378 -7.552 -2.495 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.315 -4.971 -0.944 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.214 -5.539 -2.183 1.00 0.48 H new ATOM 1802 N LYS B 158 -23.726 -4.188 -1.756 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.856 -3.336 -1.404 1.00 1.17 C ATOM 1804 C LYS B 158 -24.892 -2.087 -2.280 1.00 1.23 C ATOM 1805 O LYS B 158 -25.593 -2.110 -3.314 1.00 1.76 O ATOM 1806 CB LYS B 158 -24.775 -2.937 0.070 1.00 1.46 C ATOM 1807 CG LYS B 158 -24.719 -4.125 1.019 1.00 1.69 C ATOM 1808 CD LYS B 158 -26.047 -4.865 1.068 1.00 2.47 C ATOM 1809 CE LYS B 158 -25.972 -6.082 1.977 1.00 3.07 C ATOM 1810 NZ LYS B 158 -27.283 -6.781 2.078 1.00 3.60 N ATOM 1811 OXT LYS B 158 -24.219 -1.097 -1.925 1.00 1.64 O ATOM 0 H LYS B 158 -23.096 -4.390 -0.980 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.773 -3.901 -1.573 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -23.891 -2.318 0.223 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -25.640 -2.323 0.320 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -23.932 -4.809 0.701 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -24.457 -3.780 2.019 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -26.827 -4.192 1.423 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -26.328 -5.177 0.062 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -25.220 -6.774 1.597 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -25.648 -5.773 2.971 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -27.190 -7.605 2.706 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -27.995 -6.129 2.465 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -27.581 -7.098 1.133 1.00 3.60 H new TER 1825 LYS B 158